SCHEMBL7468616

SCHEMBL7468616

O=C(CCNC(=O)c1ccc(N2CCC[C@H](Nc3cccc(O)n3)C2)cc1)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
ITGAV P06756 4/20 0.47
CASR P41180 11/20 0.39
FLT3 P36888 1/20 0.36
CCR2 P41597 1/20 0.36
BTK Q06187 1/20 0.35

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
SCHEMBL7465258 0.90 ITGB3 (0.51) ITGB3ITGA2BITGAVCASRCCR2
SCHEMBL7048411 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVCASRCCR2
SCHEMBL7470398 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVCASRCCR2
SCHEMBL7462239 0.84 ITGB3 (0.49) ITGB3ITGA2BITGAVCASRCCR2
SCHEMBL7462626 0.83 ITGB3 (0.46) ITGB3ITGA2BITGAVCASRCCR2
SCHEMBL7465235 0.82 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL382702 0.81 ITGB3 (0.46) ITGB3ITGA2BITGAVCASR
SCHEMBL382545 0.81 ITGB3 (0.46) ITGB3ITGA2BITGAVCASR
SCHEMBL7470167 0.80 ITGB3 (0.43) ITGB3ITGA2BITGAVCASRCCR2
SCHEMBL7469429 0.80 ITGB3 (0.43) ITGB3ITGA2BITGAVCCR2

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