SCHEMBL7413263

SCHEMBL7413263

CCOC(=O)CCn1c2c(c3ccccc31)CC(N(C)C)CC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.56
TBXA2R P21731 5/20 0.56
PTGDR Q13258 5/20 0.56
KDM4E B2RXH2 3/20 0.51
HTR6 P50406 8/20 0.48
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CNR2 P34972 2/20 0.46
ABCB11 O95342 1/20 0.44
CYP2C9 P11712 1/20 0.44
DRD1 P21728 1/20 0.44
CCKAR P32238 1/20 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
Hydrochloric Acid SCHEMBL7412317 0.99 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRKDM4EHTR6
SCHEMBL7411338 0.89 KDM4E (0.58) PTGDR2TBXA2RPTGDRKDM4EHTR6
Hydrochloric Acid SCHEMBL7404475 0.88 KDM4E (0.60) PTGDR2TBXA2RPTGDRKDM4EHTR6
SCHEMBL7590610 0.87 KDM4E (0.53) PTGDR2TBXA2RPTGDRKDM4ELMNA
SCHEMBL7586679 0.87 KDM4E (0.53) PTGDR2TBXA2RPTGDRKDM4ELMNA
SCHEMBL7407017 0.86 PTGDR2 (0.72) PTGDR2TBXA2RPTGDRKDM4EHTR6
Hydrochloric Acid SCHEMBL7416212 0.85 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRKDM4EHTR6
SCHEMBL7406319 0.83 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRHTR6
SCHEMBL7410827 0.81 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRHTR6
SCHEMBL7410597 0.79 HTR6 (0.57) 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