SCHEMBL18895638

SCHEMBL18895638

CC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCN(C)CC3)cc2n1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 20/20 0.83
▸ KCNH2 Q12809 1/20 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
SCHEMBL14932975 0.91 GRM2 (1.00) GRM2KCNH2
SCHEMBL18895589 0.90 GRM2 (0.82) GRM2KCNH2
SCHEMBL18895591 0.89 GRM2 (0.82) GRM2KCNH2
SCHEMBL18895622 0.89 GRM2 (0.82) GRM2KCNH2
SCHEMBL18895635 0.88 GRM2 (0.82) GRM2KCNH2
SCHEMBL18895585 0.88 GRM2 (0.82) GRM2KCNH2
SCHEMBL18895594 0.87 GRM2 (0.84) GRM2KCNH2
SCHEMBL18895584 0.85 GRM2 (0.82) GRM2
SCHEMBL18895627 0.85 GRM2 (0.82) GRM2KCNH2
SCHEMBL18895666 0.84 GRM2 (0.86) GRM2KCNH2

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
US-9663506-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-30 — — US disclosed
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