SCHEMBL382575

SCHEMBL382575

Cc1cc(C)c(S(=O)(=O)NC(CC(=O)O)NC(=O)c2ccc(N3CCC(Nc4nc5ccccc5n4C(=O)OC(C)(C)C)CC3)cc2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 1/20 0.36
CASR P41180 1/20 0.36
CCR8 P51685 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
TGFBR1 P36897 2/20 0.33
EPHX2 P34913 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP10 P09238 1/20 0.33
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7860398 0.95 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2ACYP2C19CASR
SCHEMBL382554 0.88 MMP13 (0.39) SMN1; SMN2CASRCCR8ITGB3ITGAV
SCHEMBL382574 0.87 ITGAV (0.47) SMN1; SMN2MEN1KMT2ACYP2C19ITGB3
SCHEMBL7860292 0.86 MAPT (0.39) SMN1; SMN2CYP2C19CASRCCR8ITGB3
SCHEMBL383504 0.86 ITGAV (0.42) SMN1; SMN2MEN1KMT2ACYP2C19ITGB3
SCHEMBL382605 0.83 CASR (0.41) SMN1; SMN2MEN1KMT2ACYP2C19CASR
SCHEMBL382798 0.83 NR1H2 (0.38) SMN1; SMN2MEN1KMT2ACYP2C19CCR8
SCHEMBL381928 0.82 ITGB3 (0.40) SMN1; SMN2MEN1KMT2ACYP2C19CASR
SCHEMBL383114 0.81 MAPT (0.39) MEN1KMT2ACYP2C19CCR8ITGB3
SCHEMBL382114 0.80 ITGAV (0.46) MEN1KMT2ACASRITGB3ITGAV

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 4 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
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
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed