SCHEMBL7782474

SCHEMBL7782474

O=C(N[C@@H](CO)Cc1ccccc1C(=O)NC1CCCCC1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.54
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
EPHX1 P07099 2/20 0.51
CNR2 P34972 4/20 0.51
CNR1 P21554 3/20 0.51
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CTRB1 P17538 2/20 0.46
GAA P10253 2/20 0.45
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7782326 0.84 CTRB1 (0.52) ALDH1A1SMN1; SMN2CTRB1CYP3A4TSHR
SCHEMBL7775756 0.82 CTRB1 (0.46) ALDH1A1CNR1LMNASMN1; SMN2CTRB1
SCHEMBL7775452 0.82 CTRB1 (0.52) ALDH1A1LMNASMN1; SMN2CTRB1CYP3A4
SCHEMBL7780890 0.81 CTRB1 (0.46) ALDH1A1LMNASMN1; SMN2CTRB1CYP3A4
SCHEMBL7780900 0.80 CTRB1 (0.54) ALDH1A1SMN1; SMN2CTRB1CYP3A4TSHR
SCHEMBL7455442 0.80 CTRB1 (0.54) ALDH1A1SMN1; SMN2CTRB1CYP3A4TSHR
SCHEMBL7455452 0.80 CTRB1 (0.54) ALDH1A1SMN1; SMN2CTRB1CYP3A4TSHR
SCHEMBL8717314 0.78 CTRB1 (0.52) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7780888 0.77 SIRT2 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL7775449 0.77 LIPE (0.47) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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 7 patents. 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 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-0815074-A1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1998-01-07 EP disclosed
US-5705640-A O-carbamoyl-(d)-phenylalaninol compounds, their pharmaceutically useful salts and process for preparing the same YUKONG LIMITED (KR) 1998-01-06 US disclosed
WO-1996024577-A1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-08-15 WO disclosed