SCHEMBL18362338

SCHEMBL18362338

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ ITGAL P20701 6/20 0.37
▸ ITGB2 P05107 5/20 0.37
▸ ICAM1 P05362 5/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KYNU Q16719 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ACACB O00763 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
SCHEMBL18868608 0.86 ITGAL (0.45) ITGALITGB2ICAM1
SCHEMBL13894134 0.86 ITGAL (0.41) OPRM1DRD2DRD4DRD3ITGAL
SCHEMBL13894114 0.85 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL13894065 0.84 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL18867977 0.84 ITGAL (0.49) ITGALITGB2ICAM1
SCHEMBL18867980 0.81 DRD2 (0.37) OPRM1DRD2DRD4DRD3ITGAL
SCHEMBL23176446 0.80 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL18868508 0.79 ITGAL (0.46) ITGALITGB2ICAM1
SCHEMBL18868588 0.79 ITGAL (0.39) ITGALITGB2ICAM1
SCHEMBL23176604 0.78 ITGAL (0.46) 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
EP-2209371-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY SARCODE BIOSCIENCE INC (US) 2017-01-04 — — EP disclosed
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