SCHEMBL7502142

SCHEMBL7502142

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.55
ITGA2B P08514 10/20 0.55
HTT P42858 1/20 0.44
F2R P25116 4/20 0.43
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
YAP1 P46937 3/20 0.41
STS P08842 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7497493 0.88 ITGB3 (0.51) ITGB3ITGA2BHTTKMT2ANPC1
SCHEMBL7502307 0.88 ITGB3 (0.53) ITGB3ITGA2BF2RKMT2A
SCHEMBL7502149 0.86 ITGB3 (0.53) ITGB3ITGA2BF2RYAP1
SCHEMBL6936345 0.86 ITGB3 (0.72) ITGB3ITGA2BHTTF2RKMT2A
SCHEMBL7501267 0.86 ITGB3 (0.63) ITGB3ITGA2BHTTF2RKMT2A
SCHEMBL7502136 0.86 ITGB3 (0.52) ITGB3ITGA2BHTTF2RYAP1
SCHEMBL7500520 0.83 ITGB3 (0.55) ITGB3ITGA2BHTTF2RNPC1
SCHEMBL6539424 0.83 ITGB3 (0.70) ITGB3ITGA2BHTTF2RKMT2A
SCHEMBL6935794 0.83 ITGB3 (0.70) ITGB3ITGA2BHTTF2RKMT2A
SCHEMBL6936056 0.83 ITGB3 (0.69) ITGB3ITGA2BHTTF2RGPR119

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 5 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
EP-0669912-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 EP disclosed
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 WO disclosed