SCHEMBL4555897

SCHEMBL4555897

Cc1nnc(-c2ccc(N3CCC4(CCc5cccc(Cl)c5O4)CC3)nc2)o1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.42
TRPM8 Q7Z2W7 4/20 0.42
DGAT1 O75907 1/20 0.39
SCD O00767 3/20 0.39
CNR1 P21554 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ATR Q13535 1/20 0.36
ACHE P22303 2/20 0.36
BACE1 P56817 2/20 0.36
BCHE P06276 1/20 0.36
TTK P33981 1/20 0.36

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
SCHEMBL4556755 0.87 CNR2 (0.39) CNR2DGAT1SCDHRH3ATR
SCHEMBL4557042 0.79 CNR2 (0.39) CNR2TRPM8DGAT1CNR1
SCHEMBL8192205 0.74 CNR2 (0.50) CNR2CNR1HRH3ATRACHE
SCHEMBL4445219 0.73 TRPM8 (0.44) CNR2TRPM8SCD
SCHEMBL4450951 0.71 SCD (0.53) CNR2TRPM8SCD
SCHEMBL13930227 0.70 TRPM8 (0.39) CNR2TRPM8SCDCNR1
SCHEMBL4556505 0.69 TRPM8 (0.43) TRPM8SCD
SCHEMBL4443503 0.65 DRD2 (0.43) TRPM8SCD
SCHEMBL20132904 0.65 TRPM8 (0.43) TRPM8SCD
SCHEMBL13770570 0.64 TRPM8 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO claimed
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO disclosed
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO disclosed