SCHEMBL6301812

SCHEMBL6301812

O=C(O)CC1C(=O)NCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.42
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
OPRM1 P35372 1/20 0.42
PRCP P42785 2/20 0.41
RET P07949 1/20 0.40
HTR2A P28223 1/20 0.40
SLC22A1 O15245 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL1389876 0.81 HTR2A (0.55) TSHRNPSR1SMN1; SMN2EGFROPRM1
SCHEMBL8367481 0.80 HTR2A (0.43) TSHRNPSR1GAALMNATP53
Hydrochloric Acid SCHEMBL10743675 0.79 HTR2A (0.53) TSHRNPSR1SMN1; SMN2EGFROPRM1
SCHEMBL14407922 0.74 HTR2A (0.55) EGFRHTR2A
SCHEMBL12312033 0.74 SMN1; SMN2 (0.70) TSHRNPSR1SMN1; SMN2GAAOPRM1
SCHEMBL8513805 0.74 SMN1; SMN2 (0.70) TSHRNPSR1SMN1; SMN2GAAOPRM1
SCHEMBL643311 0.74 SMN1; SMN2 (0.70) TSHRNPSR1SMN1; SMN2GAAOPRM1
SCHEMBL15421539 0.74 SMN1; SMN2 (0.70) TSHRNPSR1SMN1; SMN2GAAOPRM1
SCHEMBL7694746 0.73 TSHR (0.47) TSHRNPSR1SMN1; SMN2GAALMNA
SCHEMBL29437202 0.73 EGFR (0.69) SMN1; SMN2GAAEGFRTP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846833-B2 Vitronectin receptor antagonist bicyclic compounds, preparation method and compositions containing same LES LABORATORIES SERVIER (FR) 2005-01-25 US disclosed
EP-1268429-B1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-08-18 EP disclosed
EP-1268429-A1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2003-01-02 EP disclosed
WO-2001079172-A1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER Departament Brevets/Fontanes (FR) 2001-10-25 WO disclosed