SCHEMBL7417189

SCHEMBL7417189

CC(C)(C)OC(=O)C(CNC(=O)C1CC1C(=O)Nc1ccc(C(=N)N)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.43
F7 P08709 8/20 0.43
RECQL P46063 1/20 0.40
TMPRSS6 Q8IU80 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
F10 P00742 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8504027 1.00 F2 (0.43) F2F7RECQLTMPRSS6ITGB3
SCHEMBL7344436 0.86 F7 (0.47) F2F7TMPRSS6ITGB3ITGA2B
SCHEMBL7352341 0.86 F7 (0.47) F2F7TMPRSS6ITGB3ITGA2B
SCHEMBL7414815 0.80 ITGB3 (0.50) F2F7ITGB3ITGA2B
SCHEMBL7417191 0.80 ITGB3 (0.50) F2F7ITGB3ITGA2B
SCHEMBL9440553 0.80 MAPT (0.46) F2F7ITGB3ITGA2BMAPT
SCHEMBL9260668 0.76 RAB9A (0.41) F2F7ITGB3ITGA2BMAPT
SCHEMBL9253557 0.75 F7 (0.44) F2F7ITGB3ITGA2BMAPT
SCHEMBL9559140 0.73 ITGB3 (0.51) F2F7ITGB3ITGA2BF10
SCHEMBL7344449 0.72 ITGB3 (0.66) F2F7ITGB3ITGA2B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542708-B1 Substituted beta-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2001-05-30 EP claimed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP claimed
EP-0542708-A1 Substituted B-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-05-19 EP claimed
WO-1993007867-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO claimed
EP-0542708-B1 Substituted beta-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2001-05-30 EP disclosed
US-5973003-A TREATMENT OF THROMBOSIS, STROKE, MYOCARDIAL INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS G. D. SEARLE & CO. (US) 1999-10-26 US disclosed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP disclosed
EP-0542708-A1 Substituted B-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-05-19 EP disclosed