SCHEMBL7409122

SCHEMBL7409122

COc1cc2c3c(n(CC(=O)O)c2cc1OC)CCC(OS(=O)(=O)c1ccc(C)cc1)C3

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.44
TBXA2R P21731 3/20 0.42
PTGDR Q13258 3/20 0.42
HTR6 P50406 1/20 0.40
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7410203 0.77 PTGDR2 (0.48) PTGDR2
SCHEMBL7407231 0.76 PTGDR2 (0.56) PTGDR2
SCHEMBL7403808 0.73 HTR6 (0.45) HTR6
SCHEMBL7406680 0.73 HTR6 (0.46) PTGDR2TBXA2RPTGDRHTR6CYP2D6
SCHEMBL7407214 0.72 MAPT (0.40) HTR6CYP2D6
SCHEMBL7411899 0.71 TSHR (0.46) PTGDR2AKR1B10AKR1B1
SCHEMBL7414173 0.70 HTR6 (0.50) PTGDR2TBXA2RPTGDRHTR6CYP2D6
SCHEMBL7407904 0.70 HTR6 (0.51) HTR6CYP2D6
SCHEMBL7405351 0.70 PTGDR2 (0.43) PTGDR2CYP2D6
SCHEMBL7414266 0.69 PTGS1 (0.46) PTGDR2TBXA2RPTGDRHTR6

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