SCHEMBL383369

SCHEMBL383369

O=C(O)CC(NS(=O)(=O)c1ccccc1)N(CC1CC1)C(=O)c1ccc(N2CCC(NC3=NCCCN3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.64
ITGAV P06756 16/20 0.64
ITGA2B P08514 16/20 0.64
ITGB1 P05556 1/20 0.38
ITGB5 P18084 1/20 0.38
LIMK2 P53671 1/20 0.34
PDE6D O43924 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL7650148 0.88 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL27475491 0.86 ITGB3 (0.46) ITGB3ITGAVITGA2BLIMK2
SCHEMBL383511 0.86 ITGB3 (0.46) ITGB3ITGAVITGA2BLIMK2
SCHEMBL383368 0.84 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7654234 0.84 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL383174 0.83 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7653577 0.81 NPC1 (0.41) ITGB3ITGAVITGA2BLIMK2
SCHEMBL382704 0.81 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL383119 0.80 ITGB3 (0.64) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382772 0.78 ITGB3 (1.00) ITGB3ITGAVITGA2B

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