SCHEMBL382676

SCHEMBL382676

N[C@@H](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.52
ITGAV P06756 7/20 0.52
ITGA2B P08514 7/20 0.52
NPY2R P49146 1/20 0.41
MTTP P55157 1/20 0.41
PRMT5 O14744 1/20 0.40
GAA P10253 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2C Q14957 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
USP30 Q70CQ3 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6798758 0.90 ITGB3 (0.53) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL382099 0.87 ITGB3 (0.54) ITGB3ITGAVITGA2BPRMT5GRIN3B
SCHEMBL7655239 0.86 KDM4E (0.44) ITGB3ITGAVITGA2BGRIN3BGRIN1
SCHEMBL383374 0.85 ITGB3 (0.55) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL382962 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2BGRIN3BGRIN1
SCHEMBL28747046 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2BGRIN3BGRIN1
SCHEMBL7544319 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL381824 0.84 ITGB3 (0.38) ITGB3ITGAVITGA2BGRIN3BGRIN1
SCHEMBL7464402 0.84 CNR1 (0.44) ITGB3ITGAVITGA2BPRMT5GRIN3B
SCHEMBL382678 0.84 ITGB3 (0.44) ITGB3ITGAVITGA2BNPY2RMTTP

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