SCHEMBL7455452

SCHEMBL7455452

NC(=O)c1ccccc1C[C@@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.54
CYP3A4 P08684 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SYK P43405 1/20 0.44
TACR1 P25103 2/20 0.44
KCNA5 P22460 1/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ATM Q13315 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
ALOX15 P16050 1/20 0.42
CA12 O43570 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7455442 1.00 CTRB1 (0.54) CTRB1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL7780900 1.00 CTRB1 (0.54) CTRB1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL7782326 0.86 CTRB1 (0.52) CTRB1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL7775452 0.86 CTRB1 (0.52) CTRB1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL8717314 0.86 CTRB1 (0.52) CTRB1CYP3A4ALDH1A1CYP1A2CYP2D6
Carbamic Acid SCHEMBL8426387 0.84 CTRB1 (0.70) CTRB1CYP3A4ALDH1A1CYP1A2CYP2D6
Carbamic Acid SCHEMBL8426357 0.84 CTRB1 (0.70) CTRB1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL7456471 0.83 CTRB1 (0.49) CTRB1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL7456474 0.83 CTRB1 (0.49) CTRB1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL1051352 0.83 CTRB1 (0.76) CTRB1CYP3A4ALDH1A1CYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815074-B1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME SK CORP (KR) 2001-10-04 EP claimed
EP-0820438-B1 O-CARBAMOYL-PHENYLALANINOL HAVING SUBSTITUENT AT BENZENE RING, ITS PHARMACEUTICALLY USEFUL SALTS AND METHOD FOR PREPARING THE SAME SK CORP (KR) 2001-06-20 EP claimed
EP-0728129-B1 NOVEL PHENYLALKYLAMINOALCOHOL CARBAMATES AND PROCESS FOR PREPARING THE SAME YUKONG LTD (KR) 1999-11-03 EP claimed
US-5955499-A PHARMACEUTICALS USEFUL TO TREAT DISEASES OF THE CENTRAL NERVOUS SYSTEM, I.E. ANTIDEPRESSANTS YUKONG LIMITED (KR) 1999-09-21 US claimed
EP-0820438-A1 O-CARBAMOYL-PHENYLALANINOL HAVING SUBSTITUENT AT BENZENE RING, ITS PHARMACEUTICALLY USEFUL SALTS AND METHOD FOR PREPARING THE SAME YUKONG LIMITED (KR) 1998-01-28 EP claimed
EP-0815074-A1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1998-01-07 EP claimed
WO-1996032375-A1 O-CARBAMOYL-PHENYLALANINOL HAVING SUBSTITUENT AT BENZENE RING, ITS PHARMACEUTICALLY USEFUL SALTS AND METHOD FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-10-17 WO claimed
EP-0728129-A1 NOVEL PHENYLALKYLAMINOALCOHOL CARBAMATES AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-08-28 EP claimed
WO-1996024577-A1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-08-15 WO claimed
WO-1996007637-A1 NOVEL PHENYLALKYLAMINOALCOHOL CARBAMATES AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-03-14 WO claimed
EP-0873308-B1 O-CARBAMOYL-PHENYLALANINOL COMPOUNDS AND THEIR PHARMACEUTICALLY USEFUL SALTS SK CORP (KR) 2002-01-02 EP disclosed
EP-0815074-B1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME SK CORP (KR) 2001-10-04 EP disclosed
CN-1069635-C Novel phenylalkylaminoalcohol carbamates and process for prepn. of same SK LTD (KR) 2001-08-15 CN disclosed
EP-0820438-B1 O-CARBAMOYL-PHENYLALANINOL HAVING SUBSTITUENT AT BENZENE RING, ITS PHARMACEUTICALLY USEFUL SALTS AND METHOD FOR PREPARING THE SAME SK CORP (KR) 2001-06-20 EP disclosed
US-6140532-A O-carbamoyl-phenylalaninol having substituent at benzene ring, its pharmaceutically useful salts and method for preparing the same SK CORPORATION (US) 2000-10-31 US disclosed
CN-1135209-A Novel phenylalkylaminoalcohol carbamates and process for prepn. of same YUKONG LTD (KR) 1996-11-06 CN disclosed
WO-1996032375-A1 O-CARBAMOYL-PHENYLALANINOL HAVING SUBSTITUENT AT BENZENE RING, ITS PHARMACEUTICALLY USEFUL SALTS AND METHOD FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-10-17 WO disclosed
EP-0728129-A1 NOVEL PHENYLALKYLAMINOALCOHOL CARBAMATES AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-08-28 EP disclosed
WO-1996024577-A1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-08-15 WO disclosed
WO-1996007637-A1 NOVEL PHENYLALKYLAMINOALCOHOL CARBAMATES AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-03-14 WO disclosed