SCHEMBL18457682

SCHEMBL18457682

N[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(COc3ccncc3)cnn21

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.52
KCNH2 Q12809 1/20 0.44
GRM5 P41594 1/20 0.36

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
SCHEMBL18457891 0.91 GRM2 (0.52) GRM2KCNH2GRM5
SCHEMBL18457681 0.89 GRM2 (0.67) GRM2KCNH2
SCHEMBL18458006 0.81 GRM2 (0.59) GRM2KCNH2
SCHEMBL18457893 0.80 GRM2 (0.67) GRM2KCNH2
SCHEMBL25859202 0.77 GRM2 (0.53) GRM2KCNH2
SCHEMBL25859256 0.77 GRM2 (0.53) GRM2KCNH2
SCHEMBL22622618 0.74 GRM2 (0.53) GRM2KCNH2
SCHEMBL17485443 0.72 GRM2 (0.67) GRM2KCNH2
SCHEMBL18458178 0.72 GRM2 (0.60) GRM2KCNH2
SCHEMBL22950492 0.71 GRM2 (0.47) 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-2017018475-A1 CONDENSED PYRAZOLE DERIVATIVE HAVING NEW LINKER SITE AND MEDICINAL USE OF SAME 大日本住友製薬株式会社 2017-02-02 WO disclosed