SCHEMBL19336390

SCHEMBL19336390

CCN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 20/20 0.85
▸ KCNH2 Q12809 1/20 0.70

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 0.92 GRM2 (1.00) GRM2KCNH2
SCHEMBL19336344 0.91 GRM2 (0.83) GRM2KCNH2
SCHEMBL19336346 0.88 GRM2 (0.79) GRM2KCNH2
SCHEMBL14933063 0.88 GRM2 (1.00) GRM2KCNH2
SCHEMBL14921332 0.88 GRM2 (1.00) GRM2KCNH2
SCHEMBL14932948 0.87 GRM2 (1.00) GRM2
SCHEMBL14932952 0.87 GRM2 (1.00) GRM2KCNH2
SCHEMBL14932942 0.87 GRM2 (1.00) GRM2KCNH2
SCHEMBL16165690 0.87 GRM2 (0.85) GRM2KCNH2
SCHEMBL14932951 0.87 GRM2 (1.00) GRM2

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
EP-2775841-B1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2017-09-13 — — EP disclosed
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