SCHEMBL3261870

SCHEMBL3261870

CC(=O)On1cc(CC#N)c2c(N)c(Cl)ccc21

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.30

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
SCHEMBL27711906 0.85
SCHEMBL3258818 0.72 ALDH1A1 (0.46)
SCHEMBL4718364 0.61 GRIA1 (0.38)
SCHEMBL28847260 0.59 GRIA1 (0.42)
SCHEMBL4720108 0.59 PTGDR2 (0.37)
SCHEMBL4718308 0.59 P2RX7 (0.36)
SCHEMBL11132912 0.59 MEN1 (0.39)
SCHEMBL4762925 0.58 HTR6 (0.42)
SCHEMBL12606731 0.57 LMNA (0.39)
SCHEMBL2192295 0.56 ALDH1A1 (0.50)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166842-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008153852-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-18 WO disclosed