SCHEMBL19157812

SCHEMBL19157812

CC(CN/C(=N/C#N)N1CCCC1)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccn3n1)C2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 19/20 0.58
▸ ICAM1 P05362 19/20 0.58
▸ ITGAL P20701 19/20 0.58

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
SCHEMBL17991414 0.92 ITGB2 (0.59) ITGB2ICAM1ITGAL
SCHEMBL19157595 0.92 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL22296881 0.92 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL23153601 0.92 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL4755927 0.92 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL23992581 0.88 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL23992560 0.88 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL25912265 0.85 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL17991424 0.85 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL22297018 0.84 ITGB2 (0.58) 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-3195861-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DRY EYE DISORDERS SARcode Bioscience Inc. (US) 2017-07-26 — — EP disclosed
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