SCHEMBL7500224

SCHEMBL7500224

COc1ccc(CCC(CC(=O)O)NC(=O)[C@@H]2CCCN(C(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.53
ITGA2B P08514 18/20 0.53
F2R P25116 5/20 0.50

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
SCHEMBL7498595 0.94 ITGB3 (0.48) ITGB3ITGA2BF2R
SCHEMBL7492116 0.91 ITGB3 (0.54) ITGB3ITGA2BF2R
SCHEMBL7498493 0.90 ITGB3 (0.56) ITGB3ITGA2BF2R
SCHEMBL7501790 0.89 ITGB3 (0.64) ITGB3ITGA2BF2R
SCHEMBL7496753 0.89 ITGB3 (0.56) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7498631 0.88 ITGB3 (0.67) ITGB3ITGA2BF2R
SCHEMBL7846012 0.88 ITGB3 (0.60) ITGB3ITGA2BF2R
SCHEMBL7443409 0.86 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7503553 0.86 ITGB3 (0.55) ITGB3ITGA2BF2R
SCHEMBL7500231 0.86 ITGB3 (0.45) 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-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