SCHEMBL7501491

SCHEMBL7501491

COC(=O)CC(CCc1ccc2c(c1)OCO2)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.54
ITGA2B P08514 12/20 0.54
F2R P25116 5/20 0.52
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BMP1 P13497 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL7846012 0.94 ITGB3 (0.60) ITGB3ITGA2BF2RALDH1A1LMNA
SCHEMBL7498595 0.89 ITGB3 (0.48) ITGB3ITGA2BF2RKMT2A
SCHEMBL7499581 0.86 ITGB3 (0.48) ITGB3ITGA2BF2RALDH1A1
SCHEMBL7501495 0.85 ITGB3 (0.49) ITGB3ITGA2BF2RALDH1A1LMNA
SCHEMBL7843158 0.85 ITGB3 (0.49) ITGB3ITGA2BF2R
SCHEMBL7500173 0.85 ITGB3 (0.47) ITGB3ITGA2BF2R
SCHEMBL7846014 0.84 ITGB3 (0.51) ITGB3ITGA2BF2RALDH1A1LMNA
SCHEMBL7500224 0.83 ITGB3 (0.53) ITGB3ITGA2BF2R
SCHEMBL7492116 0.81 ITGB3 (0.54) ITGB3ITGA2BF2R
SCHEMBL7501790 0.81 ITGB3 (0.64) 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 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-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