SCHEMBL13770570

SCHEMBL13770570

Clc1cccc2c1OC1(CCC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 7/20 0.49
HTR2C P28335 3/20 0.36
HTR2B P41595 1/20 0.36
ADRA2A P08913 3/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
AHR P35869 2/20 0.33
CYP2D6 P10635 1/20 0.33
HSD11B1 P28845 1/20 0.33
PNMT P11086 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
SCHEMBL537759 0.84 HTR2C (0.50) TRPM8HTR2CHTR2BADRA2ATAAR1
Hydrochloric Acid SCHEMBL3708253 0.83 HTR2C (0.49) TRPM8HTR2CHTR2BADRA2ATAAR1
Hydrochloric Acid SCHEMBL10502448 0.72 HTR2C (0.39) TRPM8HTR2CHTR2BSIGMAR1HTR2A
SCHEMBL619893 0.71 TRPM8 (0.54) TRPM8SIGMAR1
SCHEMBL4445219 0.71 TRPM8 (0.44) TRPM8
SCHEMBL30376964 0.71 SIGMAR1 (0.57) TRPM8HTR2CADRA1DADRA1AADRA1B
SCHEMBL2077983 0.71 SIGMAR1 (0.57) TRPM8HTR2CADRA1DADRA1AADRA1B
SCHEMBL919159 0.70 TRPM8 (0.38) TRPM8HTR2CHTR2BHTR2A
SCHEMBL3800669 0.70 TRPM8 (0.38) TRPM8HTR2CHTR2BHTR2A
SCHEMBL3797219 0.70 TRPM8 (0.38) TRPM8HTR2CHTR2BHTR2A

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-2009084034-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-07-09 WO disclosed