SCHEMBL7501005

SCHEMBL7501005

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.45
ITGA2B P08514 18/20 0.45
F2R P25116 11/20 0.45
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL7506666 0.99 ITGB3 (0.44) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7502053 0.98 ITGB3 (0.45) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7441416 0.92 ITGB3 (0.45) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7500017 0.91 ITGB3 (0.48) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7499673 0.91 ITGB3 (0.48) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7501423 0.91 ITGB3 (0.48) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7447067 0.90 ITGB3 (0.46) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7498436 0.88 ITGB3 (0.47) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7436153 0.87 ITGB3 (0.45) ITGB3ITGA2BF2RBCHEACHE
SCHEMBL7501804 0.87 ITGB3 (0.55) 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