SCHEMBL383374

SCHEMBL383374

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.55
ITGAV P06756 8/20 0.55
ITGA2B P08514 8/20 0.55
NPY2R P49146 4/20 0.43
MTTP P55157 3/20 0.43
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRMT5 O14744 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
MCHR1 Q99705 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 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
SCHEMBL381829 0.89 ITGB3 (0.57) ITGB3ITGAVITGA2BLMNA
SCHEMBL6798758 0.86 ITGB3 (0.53) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL381767 0.86 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7544319 0.86 ITGB3 (0.49) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL383201 0.86 ITGB3 (0.40) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL6496378 0.85 ITGB3 (0.42) ITGB3ITGAVITGA2BPRMT5
SCHEMBL382676 0.85 ITGB3 (0.52) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL382825 0.85 ITGAV (0.61) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL383013 0.85 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL6797577 0.83 ITGB3 (0.47) 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 1 patent. 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 disclosed