SCHEMBL18895669

SCHEMBL18895669

CC(=O)c1cc(-c2cnc(N)s2)c2ccc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2n1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 20/20 0.88
▸ KCNH2 Q12809 1/20 0.64

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
SCHEMBL14932976 0.94 GRM2 (1.00) GRM2KCNH2
SCHEMBL18895659 0.90 GRM2 (0.87) GRM2KCNH2
SCHEMBL18895673 0.90 GRM2 (0.87) GRM2KCNH2
SCHEMBL18895651 0.85 GRM2 (0.87) GRM2KCNH2
SCHEMBL14933100 0.85 GRM2 (1.00) GRM2KCNH2
SCHEMBL14933075 0.85 GRM2 (1.00) GRM2KCNH2
SCHEMBL16168971 0.83 GRM2 (0.88) GRM2KCNH2
SCHEMBL18895613 0.83 GRM2 (0.88) GRM2KCNH2
SCHEMBL18895658 0.83 GRM2 (0.88) GRM2KCNH2
SCHEMBL16168956 0.81 GRM2 (0.87) 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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