SCHEMBL18868573

SCHEMBL18868573

CN(C)NC(=N)NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.79
▸ ICAM1 P05362 20/20 0.79
▸ ITGAL P20701 20/20 0.79

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
SCHEMBL4755929 0.88 ITGB2 (0.72) ITGB2ICAM1ITGAL
SCHEMBL13658127 0.86 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL10129831 0.85 ITGB2 (0.81) ITGB2ICAM1ITGAL
SCHEMBL12060488 0.83 ITGB2 (0.78) ITGB2ICAM1ITGAL
SCHEMBL879397 0.83 ITGB2 (0.78) ITGB2ICAM1ITGAL
SCHEMBL21003954 0.83 ITGB2 (0.77) ITGB2ICAM1ITGAL
SCHEMBL18877809 0.83 ITGB2 (0.72) ITGB2ICAM1ITGAL
SCHEMBL16855295 0.83 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL23386423 0.82 ITGB2 (0.76) ITGB2ICAM1ITGAL
SCHEMBL879360 0.82 ITGB2 (0.76) 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-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
Send feedback