SCHEMBL10146402

SCHEMBL10146402

Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cc(Oc4ccnc(N)c4)ccc3N)c(F)c21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.41
P2RX3 P56373 1/20 0.35
PTAFR P25105 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK14 Q16539 1/20 0.33
AXL P30530 1/20 0.33

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
SCHEMBL10146393 0.87 GRM2 (0.41) GRM2
SCHEMBL10146368 0.86 GRM2 (0.41) GRM2PTAFRHTR2B
SCHEMBL10146414 0.81 GRM2 (0.42) GRM2PTAFRHTR2B
SCHEMBL14992567 0.80 GRM2 (0.45) GRM2P2RX3
SCHEMBL10146415 0.77 GRM2 (0.44) GRM2PTAFRHTR2B
SCHEMBL627497 0.76 GRM2 (0.43) GRM2P2RX3
SCHEMBL10146684 0.75 GRM2 (0.44) GRM2
SCHEMBL10146021 0.75 GRM2 (0.47) GRM2PTAFRHTR2B
SCHEMBL10146656 0.73 GRM2 (0.59) GRM2
SCHEMBL10146645 0.73 GRM2 (0.49) GRM2PTAFRHTR2B

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-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO disclosed