SCHEMBL18868481

SCHEMBL18868481

N=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2)C(=O)O)N1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.75
ICAM1 P05362 20/20 0.75
ITGAL P20701 20/20 0.75
CYP2C9 P11712 1/20 0.65

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
SCHEMBL13894420 0.92 ITGB2 (0.76) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13894142 0.92 ITGB2 (0.68) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18362308 0.91 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13821854 0.91 ITGB2 (0.72) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12188675 0.91 ITGB2 (0.72) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18885220 0.89 ITGB2 (0.71) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22296854 0.88 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4756146 0.88 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19157699 0.88 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9
SCHEMBL10129683 0.88 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9

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 3 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