SCHEMBL7463221

SCHEMBL7463221

CN(C)C1CCc2c(c3ccccc3n2Cc2c(Cl)cccc2Cl)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.57
PTGDR2 Q9Y5Y4 4/20 0.51
TBXA2R P21731 3/20 0.46
PTGDR Q13258 3/20 0.46
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44

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 0.85 HTR6 (0.57) HTR6PTGDR2TBXA2RPTGDRHTR1A
SCHEMBL7407081 0.85 CA1 (0.54) HTR6PTGDR2TBXA2RPTGDRHTR1A
SCHEMBL7408166 0.82 HTR6 (0.59) HTR6PTGDR2HTR1ACA1CA2
SCHEMBL7411114 0.82 PTGDR2 (0.54) HTR6PTGDR2TBXA2RPTGDR
SCHEMBL7410597 0.81 HTR6 (0.57) HTR6PTGDR2TBXA2RPTGDRHTR1A
SCHEMBL7410827 0.78 PTGDR2 (0.54) HTR6PTGDR2TBXA2RPTGDRHTR1A
SCHEMBL7412035 0.78 HTR6 (0.55) HTR6PTGDR2TBXA2RPTGDRHTR1A
SCHEMBL7410621 0.77 HTR6 (0.53) HTR6PTGDR2TBXA2RPTGDRHTR1A
SCHEMBL7409349 0.77 HTR6 (0.56) HTR6PTGDR2TBXA2RPTGDRHTR1A
SCHEMBL7457736 0.76 HTR6 (0.53) HTR6PTGDR2TBXA2RPTGDRCA1

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