SCHEMBL383368

SCHEMBL383368

O=C(O)[C@H](CN(CC1CC1)C(=O)c1ccc(N2CCC(NC3=NCCCN3)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.73
ITGA2B P08514 18/20 0.73
ITGAV P06756 17/20 0.73
ITGB1 P05556 1/20 0.44
ITGB5 P18084 1/20 0.44
MMP3 P08254 1/20 0.39

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
SCHEMBL7650144 0.88 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL383510 0.86 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL382772 0.84 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL383369 0.84 ITGB3 (0.64) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7654222 0.84 ITGB3 (0.72) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL382705 0.82 ITGB3 (0.95) ITGB3ITGA2BITGAV
SCHEMBL382415 0.81 ITGB3 (0.93) ITGB3ITGA2BITGAV
SCHEMBL7653549 0.81 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL383010 0.81 ITGB3 (0.78) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL382936 0.81 ITGB3 (0.91) 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
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
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