SCHEMBL18895583

SCHEMBL18895583

CC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CC(C)NC[C@@H]3C)cc2n1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 20/20 0.70
▸ KCNH2 Q12809 1/20 0.53

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
SCHEMBL16168936 0.92 GRM2 (0.81) GRM2KCNH2
SCHEMBL16168972 0.90 GRM2 (0.86) GRM2KCNH2
SCHEMBL18895617 0.85 GRM2 (0.85) GRM2KCNH2
SCHEMBL18895649 0.85 GRM2 (0.85) GRM2KCNH2
SCHEMBL16168940 0.83 GRM2 (0.59) GRM2
SCHEMBL14932908 0.82 GRM2 (1.00) GRM2KCNH2
SCHEMBL14932847 0.82 GRM2 (1.00) GRM2KCNH2
SCHEMBL18895588 0.80 GRM2 (0.85) GRM2KCNH2
SCHEMBL18895626 0.80 GRM2 (0.84) GRM2KCNH2
SCHEMBL18895625 0.78 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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