SCHEMBL7501427

SCHEMBL7501427

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.51
ITGA2B P08514 16/20 0.51
F2R P25116 10/20 0.51
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 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
SCHEMBL7816444 0.96 ITGB3 (0.47) ITGB3ITGA2BF2RGAAALOX15
SCHEMBL7502057 0.92 ITGB3 (0.49) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7498442 0.91 ITGB3 (0.50) ITGB3ITGA2BF2RGAAALOX15
SCHEMBL7501010 0.91 ITGB3 (0.48) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7450401 0.91 ITGB3 (0.46) ITGB3ITGA2BF2RGAAALOX15
SCHEMBL7447077 0.91 ITGB3 (0.49) ITGB3ITGA2BF2RGAAALOX15
SCHEMBL7506221 0.90 ITGB3 (0.54) ITGB3ITGA2BF2RGAAALOX15
SCHEMBL7506668 0.90 ITGB3 (0.47) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7496508 0.90 ITGB3 (0.49) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7441420 0.89 ITGB3 (0.48) ITGB3ITGA2BF2RGAAALOX15

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-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
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 WO disclosed