SCHEMBL18895616

SCHEMBL18895616

CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCOCC3(C)C)cc2n1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 20/20 0.87
▸ NR1I2 O75469 1/20 0.54

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
SCHEMBL14933058 0.93 GRM2 (1.00) GRM2NR1I2
SCHEMBL18895615 0.82 GRM2 (0.88) GRM2
SCHEMBL18895614 0.81 GRM2 (0.89) GRM2NR1I2
SCHEMBL18895674 0.81 GRM2 (0.86) GRM2NR1I2
SCHEMBL18895609 0.81 GRM2 (0.87) GRM2NR1I2
SCHEMBL18895618 0.81 GRM2 (0.87) GRM2NR1I2
SCHEMBL16168957 0.80 GRM2 (0.87) GRM2NR1I2
SCHEMBL18895604 0.80 GRM2 (0.86) GRM2NR1I2
SCHEMBL18895644 0.79 GRM2 (0.86) GRM2NR1I2
SCHEMBL18895600 0.78 GRM2 (0.86) GRM2NR1I2

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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