SCHEMBL382099

SCHEMBL382099

COc1cc(C(=O)NC[C@H](N)C(=O)O)ccc1N1CCC(Nc2ncccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.54
ITGAV P06756 5/20 0.54
ITGA2B P08514 5/20 0.54
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2C Q14957 1/20 0.42
USP30 Q70CQ3 1/20 0.42
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
PRMT5 O14744 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 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
SCHEMBL382676 0.87 ITGB3 (0.52) ITGB3ITGAVITGA2BGRIN3BGRIN1
SCHEMBL381829 0.87 ITGB3 (0.57) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382680 0.86 ITGB3 (0.51) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383595 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382101 0.84 ITGB3 (0.46) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382927 0.84 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL383021 0.83 DRD2 (0.49) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382567 0.83 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL382492 0.83 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL382100 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2BDRD2DRD3

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