SCHEMBL382297

SCHEMBL382297

COc1ccc(S(=O)(=O)N(OC(=O)CCNC(=O)c2ccc(N3CCC(Nc4ncccn4)CC3)c(OC)c2)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA2B P08514 1/20 0.44
DRD2 P14416 8/20 0.39
DRD3 P35462 5/20 0.39
ALDH1A1 P00352 7/20 0.39
TSHR P16473 2/20 0.38
USP2 O75604 2/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GFER P55789 1/20 0.38
F10 P00742 1/20 0.37
HTR1A P08908 2/20 0.37
ADRA2A P08913 2/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL383012 0.95 ITGB3 (0.46) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382188 0.94 ITGB3 (0.49) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383095 0.86 ITGB3 (0.46) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383437 0.86 ITGB3 (0.47) ITGB3ITGAVITGA2BLMNAMEN1
SCHEMBL382456 0.85 ITGB3 (0.47) ITGB3ITGAVITGA2BALDH1A1TSHR
SCHEMBL383235 0.85 ITGB3 (0.48) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6497814 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL381827 0.84 USP30 (0.45) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383158 0.83 ITGB3 (0.44) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6499244 0.82 CNR1 (0.38) 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 2 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-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed