SCHEMBL1503092

SCHEMBL1503092

Cc1cc(CN2CC3CCC2CN3c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 1.00
CYP3A4 P08684 1/20 0.59
PTAFR P25105 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL6890963 0.83 GRM2 (0.78) GRM2CYP3A4
SCHEMBL6891469 0.83 GRM2 (0.71) GRM2CYP3A4
SCHEMBL1502952 0.80 GRM2 (0.67) GRM2CYP3A4
SCHEMBL1503050 0.80 GRM2 (0.68) GRM2CYP3A4
SCHEMBL6892471 0.78 GRM2 (0.77) GRM2CYP3A4
SCHEMBL6891342 0.77 GRM2 (1.00) GRM2CYP3A4
SCHEMBL6891707 0.76 GRM2 (0.73) GRM2CYP3A4
SCHEMBL6892031 0.76 GRM2 (0.73) GRM2CYP3A4
SCHEMBL6894153 0.76 GRM2 (0.62) GRM2CYP3A4
SCHEMBL6894419 0.76 GRM2 (0.83) GRM2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 WO claimed
WO-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 WO disclosed