SCHEMBL382797

SCHEMBL382797

CC(C)(C)OC(=O)[C@H](CNC(=O)c1ccc(N2CCC(Nc3nc4ccccc4n3C(=O)OC(C)(C)C)CC2)cc1)NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
ITGAV P06756 9/20 0.46
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MMP13 P45452 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ALK Q9UM73 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC1 Q13547 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL382553 0.95 ITGB3 (0.53) ITGB3ITGA2BITGAVNR1H2NR1H3
SCHEMBL383113 0.92 ITGB3 (0.45) ITGB3ITGA2BITGAVLMNAALDH1A1
SCHEMBL383504 0.88 ITGAV (0.42) ITGB3ITGA2BITGAVLMNASMN1; SMN2
SCHEMBL7860282 0.87 ITGB3 (0.51) ITGB3ITGA2BITGAVLMNAALDH1A1
SCHEMBL7860298 0.87 ITGB3 (0.51) ITGB3ITGA2BITGAVLMNAALDH1A1
SCHEMBL382798 0.86 NR1H2 (0.38) ITGB3ITGA2BITGAVNR1H2NR1H3
SCHEMBL382554 0.86 MMP13 (0.39) ITGB3ITGA2BITGAVNR1H2NR1H3
SCHEMBL382574 0.83 ITGAV (0.47) ITGB3ITGA2BITGAVSMN1; SMN2MEN1
SCHEMBL383380 0.81 ITGB3 (0.45) ITGB3ITGA2BITGAVSMN1; SMN2MEN1
SCHEMBL382606 0.81 SMN1; SMN2 (0.42) ITGB3ITGA2BITGAVNR1H2LMNA

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-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed