SCHEMBL7407017

SCHEMBL7407017

CN(C)C1CCc2c(c3ccccc3n2CCC(=O)O)C1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.72
TBXA2R P21731 5/20 0.72
PTGDR Q13258 5/20 0.72
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ABCB11 O95342 1/20 0.56
CYP2C9 P11712 1/20 0.56
DRD1 P21728 1/20 0.56
CCKAR P32238 1/20 0.56
HTR6 P50406 8/20 0.56
FABP3 P05413 1/20 0.51
FABP4 P15090 1/20 0.51
FABP5 Q01469 1/20 0.51
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47

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 SCHEMBL7416212 0.99 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRALDH1A1KDM4E
SCHEMBL7409341 0.88 PTGDR2 (0.72) PTGDR2TBXA2RPTGDRKDM4EHTR6
Hydrochloric Acid SCHEMBL7408565 0.87 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRKDM4EHTR6
SCHEMBL7413263 0.86 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRALDH1A1KDM4E
SCHEMBL18456829 0.86 ALDH1A1 (0.65) PTGDR2TBXA2RPTGDRALDH1A1KDM4E
SCHEMBL18456826 0.86 ALDH1A1 (0.65) PTGDR2TBXA2RPTGDRALDH1A1KDM4E
SCHEMBL7410827 0.85 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRHTR6DRD2
SCHEMBL19799334 0.85 PTGDR2 (0.85) PTGDR2TBXA2RPTGDRALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7412317 0.85 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRALDH1A1KDM4E
SCHEMBL16559078 0.84 KDM4E (0.67) PTGDR2TBXA2RPTGDRALDH1A1KDM4E

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