SCHEMBL13894134

SCHEMBL13894134

O=C(O)CNC(=O)c1c(Cl)cc2c(c1Cl)CCN(CCC(O)c1cccc(O)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 17/20 0.41
▸ ITGB2 P05107 16/20 0.41
▸ ICAM1 P05362 16/20 0.41
▸ OPRM1 P35372 2/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 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
SCHEMBL13894278 0.92 ITGB2 (0.42) ITGALITGB2ICAM1
SCHEMBL13894065 0.87 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL18868608 0.87 ITGAL (0.45) ITGALITGB2ICAM1
SCHEMBL18867977 0.86 ITGAL (0.49) ITGALITGB2ICAM1
SCHEMBL13894114 0.86 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL18362338 0.86 OPRM1 (0.38) ITGALITGB2ICAM1OPRM1DRD2
SCHEMBL23176446 0.82 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL18868508 0.81 ITGAL (0.46) ITGALITGB2ICAM1
SCHEMBL12169926 0.81 ITGAL (0.65) ITGALITGB2ICAM1
SCHEMBL18868588 0.81 ITGAL (0.39) ITGALITGB2ICAM1

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
WO-2009054914-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY SARCODE CORPORATION (US) 2009-04-30 — — WO disclosed
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