SCHEMBL19681546

SCHEMBL19681546

COc1cccnc1Nc1cnc(CC(C)C)cn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.50
ASIC3 Q9UHC3 1/20 0.50
KDR P35968 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.38
BACE1 P56817 4/20 0.37
GFER P55789 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE10A Q9Y233 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.35
GCK P35557 1/20 0.35

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
SCHEMBL16264676 0.74 GRM5 (0.58) GRM5ASIC3KDRBACE1MEN1
SCHEMBL16264688 0.72 GRM5 (0.61) GRM5ASIC3KDRMEN1KMT2A
SCHEMBL19639898 0.70 GRM5 (0.47) GRM5ASIC3KDRGFERMEN1
SCHEMBL9963341 0.68 TRPM8 (0.52) TRPM8MEN1KMT2AL3MBTL1PDE10A
SCHEMBL13562935 0.68 TRPM8 (0.52) GRM5ASIC3KDRTRPM8GFER
SCHEMBL22593337 0.67 GRM5 (0.53) GRM5ASIC3KDRGFERMEN1
SCHEMBL5582792 0.67 GRM5 (1.00) GRM5ASIC3
SCHEMBL11970994 0.67 KDR (0.57) GRM5ASIC3KDRMEN1KMT2A
SCHEMBL6466753 0.66 NOS3 (0.40) PDE10A
SCHEMBL22388260 0.66 HCAR3 (0.39) TRPM8

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-2017208032-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LTD (GB) 2017-12-07 WO disclosed