SCHEMBL7464276

SCHEMBL7464276

O=C(CCNC(=O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1)ONS(=O)(=O)CCCO

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.40
ITGAV P06756 2/20 0.40
ITGA2B P08514 2/20 0.40
CASR P41180 9/20 0.38
DGAT2 Q96PD7 3/20 0.36
SMYD3 Q9H7B4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
CCR2 P41597 1/20 0.34
POLB P06746 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
SCHEMBL7472919 0.93 ITGB3 (0.40) ITGB3ITGAVITGA2BCASRDGAT2
SCHEMBL7469153 0.90 ITGB3 (0.38) ITGB3ITGAVITGA2BCASRDGAT2
SCHEMBL7470398 0.86 ITGB3 (0.51) ITGB3ITGAVITGA2BCASRDGAT2
SCHEMBL7048411 0.86 ITGB3 (0.51) ITGB3ITGAVITGA2BCASRDGAT2
SCHEMBL7464586 0.85 ITGB3 (0.40) ITGB3ITGAVITGA2BCASRKDM4E
SCHEMBL7462239 0.84 ITGB3 (0.49) ITGB3ITGAVITGA2BCASRSMYD3
SCHEMBL7468320 0.83 ITGB3 (0.43) ITGB3ITGAVITGA2BCASRDGAT2
SCHEMBL7466616 0.83 ITGB3 (0.44) ITGB3ITGAVITGA2BCASRDGAT2
SCHEMBL7476304 0.83 KDM4E (0.44) ITGB3ITGAVITGA2BCASRDGAT2
SCHEMBL7049509 0.83 ITGB3 (0.42) ITGB3ITGAVITGA2BCASRDGAT2

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