SCHEMBL6418017

SCHEMBL6418017

O=C(O)CC1Cc2ccc(OCCCNc3cc([N+](=O)[O-])cc[n+]3[O-])cc2CNC1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.46
ITGAV P06756 7/20 0.46
ITGA2B P08514 5/20 0.46
ITGB1 P05556 1/20 0.44
ITGB5 P18084 1/20 0.44
PPARD Q03181 8/20 0.34
PPARA Q07869 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
SERPINE1 P05121 1/20 0.33
PNMT P11086 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
SCHEMBL6418023 1.00 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6418886 0.89 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6417972 0.89 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419206 0.87 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6420572 0.86 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6420565 0.86 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7172928 0.84 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7172694 0.84 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6418931 0.78 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419266 0.76 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB1ITGB5

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-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed