SCHEMBL22296986

SCHEMBL22296986

CCCCCN/C(=N\C#N)NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3o1)C2)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.66
▸ ICAM1 P05362 20/20 0.66
▸ ITGAL P20701 20/20 0.66

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
SCHEMBL17991427 0.96 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL4921952 0.93 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL13813569 0.93 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL12169812 0.93 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL4922796 0.87 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL12188699 0.87 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL19158062 0.87 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL13813599 0.87 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL4756057 0.86 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL22296813 0.86 ITGB2 (0.69) 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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