SCHEMBL7501804

SCHEMBL7501804

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.55
ITGA2B P08514 19/20 0.55
F2R P25116 12/20 0.55
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7450351 1.00 ITGB3 (0.55) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7503186 1.00 ITGB3 (0.55) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7447140 0.95 ITGB3 (0.54) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7500017 0.90 ITGB3 (0.48) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7499673 0.90 ITGB3 (0.48) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7501423 0.90 ITGB3 (0.48) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7498436 0.89 ITGB3 (0.47) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7447067 0.88 ITGB3 (0.46) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7508228 0.88 ITGB3 (0.57) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7502307 0.88 ITGB3 (0.53) ITGB3ITGA2BF2RMEN1ALDH1A1

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