SCHEMBL7409341

SCHEMBL7409341

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

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.72
TBXA2R P21731 3/20 0.71
PTGDR Q13258 3/20 0.71
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
GLA P06280 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HTR6 P50406 1/20 0.58

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
Hydrochloric Acid SCHEMBL7408565 0.99 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL7407017 0.88 PTGDR2 (0.72) PTGDR2TBXA2RPTGDRKDM4EHTR6
Hydrochloric Acid SCHEMBL7416212 0.87 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRKDM4EHTR6
SCHEMBL835035 0.87 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL7411338 0.85 KDM4E (0.58) PTGDR2TBXA2RPTGDRKDM4EHTR6
SCHEMBL7409304 0.85 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRKDM4EHTR6
SCHEMBL17101629 0.84 PTGDR2 (1.00) PTGDR2
SCHEMBL2430526 0.84 PTGDR2 (1.00) PTGDR2
SCHEMBL19799337 0.84 PTGDR2 (0.84) PTGDR2TBXA2RPTGDRHTR6
Hydrochloric Acid SCHEMBL7404475 0.84 KDM4E (0.60) PTGDR2TBXA2RPTGDRKDM4EHTR6

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