SCHEMBL382117

SCHEMBL382117

C#C[C@H](CC(=O)O)NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
DRD3 P35462 8/20 0.44
CASR P41180 2/20 0.43
ITGB3 P05106 7/20 0.41
ITGA2B P08514 7/20 0.41
ITGAV P06756 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
ITGB5 P18084 1/20 0.41
HDAC1 Q13547 2/20 0.37
KDM4E B2RXH2 1/20 0.36
JAK2 O60674 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
SCHEMBL6796559 0.86 CASR (0.45) DRD2DRD3CASRITGB3ITGA2B
SCHEMBL382964 0.85 CASR (0.45) DRD2DRD3CASRITGB3ITGA2B
SCHEMBL7651579 0.84 NPC1 (0.51) ITGB3ITGA2BKDM4E
SCHEMBL382649 0.82 ITGB3 (0.41) DRD2DRD3CASRITGB3ITGA2B
SCHEMBL6796240 0.80 DRD2 (0.43) DRD2DRD3CASRITGB3ITGA2B
SCHEMBL6800173 0.80 CASR (0.43) DRD2DRD3CASRITGB3ITGA2B
SCHEMBL27551456 0.79 ITGB3 (0.51) DRD2DRD3CASRITGB3ITGA2B
SCHEMBL382764 0.79 ITGB3 (0.51) DRD2DRD3CASRITGB3ITGA2B
SCHEMBL382410 0.78 ITGB3 (0.44) DRD2DRD3CASRITGB3ITGA2B
SCHEMBL383016 0.78 DRD2 (0.55) DRD2DRD3CASRKDM4E

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