SCHEMBL7860282

SCHEMBL7860282

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.51
ITGA2B P08514 17/20 0.51
ITGAV P06756 10/20 0.51
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MMP2 P08253 1/20 0.37

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
SCHEMBL7860298 1.00 ITGB3 (0.51) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL383113 0.95 ITGB3 (0.45) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL382553 0.92 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7860292 0.88 MAPT (0.39) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL382797 0.87 ITGB3 (0.46) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL383114 0.86 MAPT (0.39) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL382574 0.86 ITGAV (0.47) ITGB3ITGA2BITGAV
SCHEMBL383380 0.85 ITGB3 (0.45) ITGB3ITGA2BITGAV
SCHEMBL382606 0.82 SMN1; SMN2 (0.42) ITGB3ITGA2BITGAVLMNAMAPT
SCHEMBL383504 0.81 ITGAV (0.42) ITGB3ITGA2BITGAVLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP claimed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed