SCHEMBL7456474

SCHEMBL7456474

NC(=O)c1c(F)cccc1C[C@@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.49
CYP3A4 P08684 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
F2 P00734 2/20 0.41
PLAU P00749 2/20 0.41
PLAT P00750 2/20 0.41
SYK P43405 1/20 0.40
PLG P00747 1/20 0.40
BACE1 P56817 1/20 0.40
TACR1 P25103 2/20 0.40

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
SCHEMBL7456471 1.00 CTRB1 (0.49) CTRB1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL5559542 0.87 CTRB1 (0.56) CTRB1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL7780900 0.83 CTRB1 (0.54) CTRB1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL7455442 0.83 CTRB1 (0.54) CTRB1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL7455452 0.83 CTRB1 (0.54) CTRB1CYP3A4CYP1A2CYP2D6CYP2C9
Carbamic Acid SCHEMBL8426357 0.80 CTRB1 (0.70) CTRB1CYP3A4CYP1A2CYP2D6CYP2C9
Carbamic Acid SCHEMBL8426387 0.80 CTRB1 (0.70) CTRB1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL2482903 0.78 CTRB1 (0.76) CTRB1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL2435512 0.78 CTRB1 (0.76) CTRB1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL1051352 0.78 CTRB1 (0.76) CTRB1CYP3A4CYP1A2CYP2D6CYP2C9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873308-B1 O-CARBAMOYL-PHENYLALANINOL COMPOUNDS AND THEIR PHARMACEUTICALLY USEFUL SALTS SK CORP (KR) 2002-01-02 EP 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
EP-0873308-A1 O-CARBAMOYL-PHENYLALANINOL COMPOUNDS, THEIR PHARMACEUTICALLY USEFUL SALTS AND PROCESS FOR PREPARING THE SAME SK Corporation (KR) 1998-10-28 EP disclosed
US-5756817-A TREATMENT OF DISEASES OF CENTRAL NERVOUS SYSTEMS YUKONG LIMITED (KR) 1998-05-26 US disclosed
WO-1998015526-A1 O-CARBAMOYL-PHENYLALANINOL COMPOUNDS, THEIR PHARMACEUTICALLY USEFUL SALTS AND PROCESS FOR PREPARING THE SAME SK CORPORATION (KR) 1998-04-16 WO disclosed
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 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