SCHEMBL7409349

SCHEMBL7409349

CN(C)C1CCc2c(c3ccccc3n2CCc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.56
PTGDR2 Q9Y5Y4 4/20 0.53
TBXA2R P21731 3/20 0.53
PTGDR Q13258 3/20 0.53
HRH1 P35367 3/20 0.48
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
ADRA2A P08913 2/20 0.46
ADRA1A P35348 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRM1 P35372 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL7411175 0.89 HTR6 (0.57) HTR6PTGDR2TBXA2RPTGDRDRD3
SCHEMBL7408670 0.88 HTR6 (0.48) HTR6PTGDR2TBXA2RPTGDRHRH1
SCHEMBL7412035 0.86 HTR6 (0.55) HTR6PTGDR2TBXA2RPTGDRHRH1
SCHEMBL7410827 0.86 PTGDR2 (0.54) HTR6PTGDR2TBXA2RPTGDRHRH1
SCHEMBL7407017 0.84 PTGDR2 (0.72) HTR6PTGDR2TBXA2RPTGDRDRD2
SCHEMBL7410597 0.84 HTR6 (0.57) HTR6PTGDR2TBXA2RPTGDRHRH1
SCHEMBL7411149 0.84 HTR6 (0.66) HTR6PTGDR2TBXA2RPTGDRHRH1
SCHEMBL7409383 0.84 HTR6 (0.52) HTR6PTGDR2TBXA2RPTGDRHRH1
Hydrochloric Acid SCHEMBL7416212 0.83 PTGDR2 (0.71) HTR6PTGDR2TBXA2RPTGDRDRD2
SCHEMBL7410795 0.83 HTR6 (0.51) HTR6PTGDR2TBXA2RPTGDRHRH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed