SCHEMBL7409304

SCHEMBL7409304

CN(C)C1CCc2c(c3ccccc3n2CC(=O)OCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.55
TBXA2R P21731 3/20 0.55
PTGDR Q13258 3/20 0.55
HTR6 P50406 6/20 0.50
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL7411338 0.89 KDM4E (0.58) PTGDR2TBXA2RPTGDRHTR6KDM4E
Hydrochloric Acid SCHEMBL7404475 0.88 KDM4E (0.60) PTGDR2TBXA2RPTGDRHTR6KDM4E
SCHEMBL7411231 0.87 SMN1; SMN2 (0.50) PTGDR2TBXA2RPTGDRHTR6LMNA
SCHEMBL7411114 0.86 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRHTR6KDM4E
SCHEMBL7409341 0.85 PTGDR2 (0.72) PTGDR2TBXA2RPTGDRHTR6KDM4E
Hydrochloric Acid SCHEMBL7408565 0.84 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRHTR6KDM4E
SCHEMBL2530097 0.81 KDM4E (0.52) PTGDR2TBXA2RPTGDRKDM4ELMNA
SCHEMBL7411175 0.80 HTR6 (0.57) PTGDR2TBXA2RPTGDRHTR6
SCHEMBL7409349 0.79 HTR6 (0.56) PTGDR2TBXA2RPTGDRHTR6
SCHEMBL2427080 0.79 KDM4E (0.50) PTGDR2TBXA2RPTGDRKDM4ELMNA

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