SCHEMBL383018

SCHEMBL383018

NC(CC(=O)O)NC(=O)c1ccc(N2CCC(NC3=NCCCN3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.59
ITGAV P06756 16/20 0.59
ITGA2B P08514 12/20 0.59
SMYD3 Q9H7B4 3/20 0.38
CASR P41180 1/20 0.38
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGB5 P18084 1/20 0.36

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
SCHEMBL6793131 0.90 ITGB3 (0.59) ITGB3ITGAVITGA2BCASRITGB1
SCHEMBL6797778 0.85 ITGB3 (0.55) ITGB3ITGAVITGA2BCASRITGB5
SCHEMBL6797331 0.85 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB5
SCHEMBL383017 0.84 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL7658323 0.83 JAK2 (0.41) ITGB3ITGAVITGA2BSMYD3
SCHEMBL383174 0.83 ITGB3 (0.73) ITGB3ITGAVITGA2BCASRITGB1
SCHEMBL382506 0.81 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5
SCHEMBL384017 0.81 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL382964 0.81 CASR (0.45) ITGB3ITGAVITGA2BSMYD3CASR
SCHEMBL6793124 0.81 ITGB3 (0.71) 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 6 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
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
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