SCHEMBL17478012

SCHEMBL17478012

CC1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(C(=O)O)cnn21

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.70
KCNH2 Q12809 1/20 0.61

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
SCHEMBL17485531 1.00 GRM2 (0.70) GRM2KCNH2
SCHEMBL17484590 0.91 GRM2 (0.67) GRM2KCNH2
SCHEMBL20752607 0.91 GRM2 (0.67) GRM2KCNH2
SCHEMBL26989597 0.90 GRM2 (0.59) GRM2KCNH2
SCHEMBL26987941 0.90 GRM2 (0.59) GRM2KCNH2
SCHEMBL17477897 0.90 GRM2 (0.67) GRM2KCNH2
SCHEMBL17485466 0.89 GRM2 (0.64) GRM2KCNH2
SCHEMBL17485440 0.89 GRM2 (0.64) GRM2KCNH2
SCHEMBL18457882 0.89 GRM2 (0.64) GRM2KCNH2
SCHEMBL17484566 0.87 GRM2 (0.62) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 WO disclosed
WO-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 WO disclosed
EP-3177623-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceutica, N.V. (BE) 2017-06-14 EP disclosed
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
WO-2016016380-A1 6,7-DIHYDROPYRAZOLO[1,5-α]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-04 WO disclosed