SCHEMBL7502149

SCHEMBL7502149

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.53
ITGA2B P08514 15/20 0.53
F2R P25116 5/20 0.49
YAP1 P46937 3/20 0.45
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NTSR1 P30989 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7502136 0.91 ITGB3 (0.52) ITGB3ITGA2BF2RYAP1
SCHEMBL7497497 0.87 ITGB3 (0.49) ITGB3ITGA2BF2RYAP1
SCHEMBL7502142 0.86 ITGB3 (0.55) ITGB3ITGA2BF2RYAP1
SCHEMBL7501267 0.84 ITGB3 (0.63) ITGB3ITGA2BF2RYAP1MAPT
SCHEMBL6936345 0.84 ITGB3 (0.72) ITGB3ITGA2BF2RYAP1MAPT
SCHEMBL7445660 0.83 ITGB3 (0.48) ITGB3ITGA2BF2R
SCHEMBL7497435 0.83 ITGB3 (0.46) ITGB3ITGA2BF2RYAP1
SCHEMBL7502300 0.82 ITGB3 (0.59) ITGB3ITGA2BF2R
SCHEMBL7501271 0.82 ITGB3 (0.52) ITGB3ITGA2BF2RYAP1
SCHEMBL6936346 0.82 ITGB3 (0.57) ITGB3ITGA2BF2RYAP1

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