SCHEMBL13894061

SCHEMBL13894061

Nc1ccc(C(=O)N2CCc3c(cc(Cl)c(C(=O)N[C@@H](CNc4ncnc5ccccc45)C(=O)O)c3Cl)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.62
▸ ICAM1 P05362 20/20 0.62
▸ ITGAL P20701 20/20 0.62

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
SCHEMBL13813631 0.94 ITGB2 (0.71) ITGB2ICAM1ITGAL
SCHEMBL17991447 0.88 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL23153587 0.87 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL22296794 0.86 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL4756023 0.84 ITGB2 (0.64) ITGB2ICAM1ITGAL
SCHEMBL19158144 0.84 ITGB2 (0.64) ITGB2ICAM1ITGAL
SCHEMBL18867783 0.80 ITGB2 (0.47) ITGB2ICAM1ITGAL
SCHEMBL13658127 0.77 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL22296796 0.76 ITGB2 (0.77) ITGB2ICAM1ITGAL
SCHEMBL879397 0.76 ITGB2 (0.78) ITGB2ICAM1ITGAL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3797775-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY Novartis AG (CH) 2021-03-31 — — EP disclosed
EP-3167886-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA NOVARTIS AG (CH) 2020-08-05 — — EP disclosed
EP-3167886-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
WO-2009054914-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY SARCODE CORPORATION (US) 2009-04-30 — — WO disclosed
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