SCHEMBL7465258

SCHEMBL7465258

O=C(CCNC(=O)c1ccc(N2CCC[C@H](Nc3ccccn3)C2)cc1)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.51
ITGA2B P08514 5/20 0.51
ITGAV P06756 4/20 0.51
BTK Q06187 2/20 0.42
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
CASR P41180 5/20 0.39
TSHR P16473 1/20 0.38
CCR2 P41597 1/20 0.37
DGAT2 Q96PD7 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL7470398 0.93 ITGB3 (0.51) ITGB3ITGA2BITGAVBTKKDM4E
SCHEMBL7048411 0.93 ITGB3 (0.51) ITGB3ITGA2BITGAVBTKKDM4E
SCHEMBL7462239 0.91 ITGB3 (0.49) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7468616 0.90 ITGB3 (0.47) ITGB3ITGA2BITGAVBTKCASR
SCHEMBL382702 0.88 ITGB3 (0.46) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL382545 0.88 ITGB3 (0.46) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7466616 0.85 ITGB3 (0.44) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7462626 0.85 ITGB3 (0.46) ITGB3ITGA2BITGAVCASRCCR2
SCHEMBL7469429 0.85 ITGB3 (0.43) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7474930 0.85 ITGB3 (0.43) ITGB3ITGA2BITGAVKDM4EHTT

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