SCHEMBL7473366

SCHEMBL7473366

COc1ccc(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(N3CCC[C@H](Nc4ncccn4)C3)c(F)c2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.49
ITGAV P06756 12/20 0.49
ITGA2B P08514 12/20 0.49
ALDH1A1 P00352 4/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
LCK P06239 2/20 0.38
JAK3 P52333 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
BTK Q06187 1/20 0.36
UBE2N P61088 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
SCHEMBL382345 0.93 ITGB3 (0.55) ITGB3ITGAVITGA2BALDH1A1USP2
SCHEMBL7461788 0.92 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL7473372 0.87 ITGB3 (0.46) ITGB3ITGAVITGA2BALDH1A1USP2
SCHEMBL382306 0.85 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7467585 0.84 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7462044 0.84 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7463165 0.83 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL382475 0.82 ITGB3 (0.43) ITGB3ITGAVITGA2BALDH1A1SMN1; SMN2
SCHEMBL7467234 0.80 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7461811 0.79 ITGB3 (0.52) ITGB3ITGAVITGA2B

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-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed