SCHEMBL4454657

SCHEMBL4454657

Clc1ccc(Cl)c2c1CCC1(CCNCC1)O2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.41
HTR2B P41595 4/20 0.41
HTR2A P28223 2/20 0.40
SLC6A2 P23975 9/20 0.36
SLC6A4 P31645 9/20 0.36
PNMT P11086 4/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
OPRD1 P41143 1/20 0.34
SLC6A3 Q01959 1/20 0.33
DRD2 P14416 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
SCHEMBL1589928 0.79 HTR2C (0.48) HTR2CHTR2BHTR2APNMTADRA2A
SCHEMBL537759 0.78 HTR2C (0.50) HTR2CHTR2BPNMTADRA2AOPRD1
Hydrochloric Acid SCHEMBL1591008 0.78 HTR2C (0.47) HTR2CHTR2BHTR2APNMTOPRD1
Hydrochloric Acid SCHEMBL3708253 0.77 HTR2C (0.49) HTR2CHTR2BPNMTADRA2AOPRD1
SCHEMBL4444741 0.71 HTR2C (0.38) HTR2CHTR2BSLC6A2SLC6A4OPRD1
Hydrochloric Acid SCHEMBL10502304 0.70 HTR2C (0.49) HTR2CHTR2BHTR2APNMTOPRD1
SCHEMBL20271017 0.69 HTR2C (0.33) HTR2CHTR2BPNMT
SCHEMBL11261590 0.67 HTR2C (0.49) HTR2CHTR2BHTR2APNMTOPRD1
SCHEMBL4220742 0.67 HTR2C (0.49) HTR2CHTR2BHTR2APNMTOPRD1
SCHEMBL538019 0.66 TRPM8 (0.51) HTR2CHTR2B

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-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