SCHEMBL382553

SCHEMBL382553

CC(C)(C)OC(=O)n1c(NC2CCN(c3ccc(C(=O)NC[C@H](NS(=O)(=O)c4ccc(F)cc4)C(=O)O)cc3)CC2)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.53
ITGA2B P08514 17/20 0.53
ITGAV P06756 11/20 0.53
MMP13 P45452 1/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 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
SCHEMBL382797 0.95 ITGB3 (0.46) ITGB3ITGA2BITGAVMMP13NR1H2
SCHEMBL7860282 0.92 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7860298 0.92 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL382574 0.88 ITGAV (0.47) ITGB3ITGA2BITGAV
SCHEMBL382554 0.87 MMP13 (0.39) ITGB3ITGA2BITGAVMMP13NR1H2
SCHEMBL383113 0.87 ITGB3 (0.45) ITGB3ITGA2BITGAV
SCHEMBL383380 0.86 ITGB3 (0.45) ITGB3ITGA2BITGAV
SCHEMBL382798 0.86 NR1H2 (0.38) ITGB3ITGA2BITGAVMMP13NR1H2
SCHEMBL382606 0.84 SMN1; SMN2 (0.42) ITGB3ITGA2BITGAVNR1H2
SCHEMBL383504 0.83 ITGAV (0.42) ITGB3ITGA2BITGAV

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
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP claimed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed