SCHEMBL7501271

SCHEMBL7501271

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.52
ITGA2B P08514 17/20 0.52
F2R P25116 5/20 0.48
YAP1 P46937 1/20 0.44
HTT P42858 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
SCHEMBL6936346 0.94 ITGB3 (0.57) ITGB3ITGA2BF2RYAP1
SCHEMBL6943036 0.91 ITGB3 (0.49) ITGB3ITGA2BYAP1HTT
SCHEMBL6936057 0.90 ITGB3 (0.55) ITGB3ITGA2BF2RYAP1
SCHEMBL6942125 0.90 ITGB3 (0.55) ITGB3ITGA2BF2RYAP1
SCHEMBL6935798 0.90 ITGB3 (0.57) ITGB3ITGA2BF2RYAP1HTT
SCHEMBL6539427 0.90 ITGB3 (0.57) ITGB3ITGA2BF2RYAP1HTT
SCHEMBL6539630 0.90 ITGB3 (0.57) ITGB3ITGA2BF2RYAP1HTT
SCHEMBL6939589 0.90 ITGB3 (0.57) ITGB3ITGA2BF2RYAP1HTT
SCHEMBL7498521 0.90 ITGB3 (0.52) ITGB3ITGA2BF2RHTT
SCHEMBL7508380 0.90 ITGB3 (0.54) ITGB3ITGA2BF2RHTT

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