SCHEMBL22296882

SCHEMBL22296882

C/N=C(/NCC(NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccn3n1)C2)C(=O)O)N1CC[C@H](O)C1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.64
▸ ICAM1 P05362 20/20 0.64
▸ ITGAL P20701 20/20 0.64

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
SCHEMBL12188988 1.00 ITGB2 (0.64) ITGB2ICAM1ITGAL
SCHEMBL12188965 0.95 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL18867802 0.94 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL17992451 0.93 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL18867803 0.93 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL18868632 0.93 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL4756075 0.93 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL12169785 0.93 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL25912265 0.92 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL12169930 0.91 ITGB2 (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3167886-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA NOVARTIS AG (CH) 2020-08-05 — — EP disclosed
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