SCHEMBL7500565

SCHEMBL7500565

O=C(NC(CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OCc3ccccc3)CC2)C1)C(=O)O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.72
ITGA2B P08514 11/20 0.72
F2R P25116 4/20 0.48
HTT P42858 1/20 0.47
ACHE P22303 4/20 0.46
BCHE P06276 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
USP30 Q70CQ3 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
SCHEMBL7498550 0.96 ITGB3 (0.69) ITGB3ITGA2BF2RHTTACHE
SCHEMBL7501816 0.94 ITGB3 (0.63) ITGB3ITGA2BF2RHTTACHE
SCHEMBL7500193 0.94 ITGB3 (0.65) ITGB3ITGA2BF2RHTTACHE
SCHEMBL7504164 0.92 ITGB3 (0.74) ITGB3ITGA2BF2RHTTSMN1; SMN2
SCHEMBL7446986 0.91 ITGB3 (0.73) ITGB3ITGA2BF2RHTTSMN1; SMN2
SCHEMBL7505011 0.90 ITGB3 (0.60) ITGB3ITGA2BF2RHTTACHE
SCHEMBL7496847 0.89 ITGB3 (0.68) ITGB3ITGA2BF2RHTTSMN1; SMN2
SCHEMBL7500186 0.88 ITGB3 (0.59) ITGB3ITGA2BF2RHTTACHE
SCHEMBL7818397 0.88 ITGB3 (0.59) ITGB3ITGA2BF2RACHEUSP30
SCHEMBL7746235 0.87 ITGB3 (0.67) ITGB3ITGA2BF2RHTTACHE

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