SCHEMBL19632598

SCHEMBL19632598

C=CCC1(F)CC1Cc1nnc2c(Br)c(-c3ccc(C(C)(C)O)cc3F)ccn12

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 19/20 0.43
KCNH2 Q12809 10/20 0.43

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
SCHEMBL19632856 0.88 GRM2 (0.55) GRM2KCNH2
SCHEMBL20842320 0.71 GRM2 (0.61) GRM2KCNH2
SCHEMBL20836129 0.71 GRM2 (0.61) GRM2KCNH2
SCHEMBL24017776 0.70 GRM2 (0.63) GRM2KCNH2
SCHEMBL19632852 0.68 GRM2 (0.65) GRM2KCNH2
SCHEMBL24017757 0.67 GRM2 (0.68) GRM2KCNH2
SCHEMBL20842296 0.67 GRM2 (0.79) GRM2KCNH2
SCHEMBL19632910 0.66 GRM2 (0.64) GRM2KCNH2
SCHEMBL19632918 0.66 GRM2 (0.77) GRM2KCNH2
SCHEMBL19633206 0.64 GRM2 (0.61) 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
WO-2017198180-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 中国科学院上海药物研究所 2017-11-23 WO disclosed