SCHEMBL7654222

SCHEMBL7654222

O=C(O)[C@H](CN(Cc1ccccc1)Cc1ccc(N2CCC(NC3=NCCCN3)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.72
ITGAV P06756 17/20 0.72
ITGA2B P08514 16/20 0.72
ITGB1 P05556 1/20 0.48
ITGB5 P18084 1/20 0.48
RORC P51449 1/20 0.43
MMP3 P08254 1/20 0.41

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
SCHEMBL383010 0.87 ITGB3 (0.78) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7652565 0.86 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7654234 0.85 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382772 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL383368 0.84 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382705 0.81 ITGB3 (0.95) ITGB3ITGAVITGA2B
SCHEMBL383119 0.81 ITGB3 (0.64) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382936 0.80 ITGB3 (0.91) ITGB3ITGAVITGA2B
SCHEMBL382415 0.79 ITGB3 (0.93) ITGB3ITGAVITGA2B
SCHEMBL6498823 0.79 ITGB3 (0.84) ITGB3ITGAVITGA2BITGB1ITGB5

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 3 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
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