SCHEMBL7501267

SCHEMBL7501267

CC(=O)NC(CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.63
ITGA2B P08514 9/20 0.63
YAP1 P46937 3/20 0.45
HTT P42858 1/20 0.45
F2R P25116 4/20 0.45
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NTSR1 P30989 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
STS P08842 1/20 0.43

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
SCHEMBL6936345 0.94 ITGB3 (0.72) ITGB3ITGA2BYAP1HTTF2R
SCHEMBL6943032 0.92 ITGB3 (0.56) ITGB3ITGA2BYAP1HTTKMT2A
SCHEMBL6539424 0.91 ITGB3 (0.70) ITGB3ITGA2BYAP1HTTF2R
SCHEMBL6935794 0.91 ITGB3 (0.70) ITGB3ITGA2BYAP1HTTF2R
SCHEMBL7508377 0.91 ITGB3 (0.65) ITGB3ITGA2BHTTF2RKMT2A
SCHEMBL6936056 0.90 ITGB3 (0.69) ITGB3ITGA2BYAP1HTTF2R
SCHEMBL7498519 0.90 ITGB3 (0.64) ITGB3ITGA2BHTTF2RKMT2A
SCHEMBL7446986 0.90 ITGB3 (0.73) ITGB3ITGA2BHTTF2RKMT2A
SCHEMBL7496198 0.88 ITGB3 (0.66) ITGB3ITGA2BYAP1HTTF2R
Hydrochloric Acid SCHEMBL7499828 0.88 ITGB3 (0.79) ITGB3ITGA2BF2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380215-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION SUCH AS ARTERIAL THROMBOSIS, ARTERIAL SCLEROSIS, ISCHEMIC HEART DISEASES FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2002-04-30 US disclosed
EP-0669912-B1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-05 EP disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed