SCHEMBL7812927

SCHEMBL7812927

CC(C)(C)Cn1nnc2c(Br)c(-c3cc(N)ccc3F)ccc21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL3475412 0.84 GRM2 (0.33) GRM2
SCHEMBL7819300 0.82 GRM2 (0.39) GRM2
SCHEMBL7803229 0.81 GRM2 (0.51) GRM2
SCHEMBL7884054 0.77 ADRA2B (0.40) GRM2
SCHEMBL3475847 0.76 GRM2 (0.39) GRM2
SCHEMBL3474204 0.76 GRM2 (0.34) GRM2
SCHEMBL3476662 0.75 GRM2 (0.35) GRM2
SCHEMBL3475355 0.75 GRM2 (0.35) GRM2
SCHEMBL3474766 0.74 GRM2 (0.39) GRM2
SCHEMBL3475691 0.74 CNR2 (0.38) GRM2

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-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 WO disclosed