SCHEMBL7410052

SCHEMBL7410052

CN(C)CCCn1c2c(c3ccccc31)CC(O)CC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.65
DRD3 P35462 2/20 0.65
HTR6 P50406 2/20 0.65
CHRM2 P08172 1/20 0.65
HTR1A P08908 1/20 0.65
CHRM5 P08912 1/20 0.65
ADRA2A P08913 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
CHRM3 P20309 1/20 0.65
DRD4 P21917 1/20 0.65
SLC6A2 P23975 1/20 0.65
HRH2 P25021 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
AVPR2 P30518 1/20 0.65
ADRA1A P35348 1/20 0.65
HRH1 P35367 1/20 0.65
OPRK1 P41145 1/20 0.65
HTR2B P41595 1/20 0.65

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
SCHEMBL7410175 0.93 DRD2 (0.58) DRD2DRD3HTR6CHRM2HTR1A
SCHEMBL7411149 0.89 HTR6 (0.66) DRD2DRD3HTR6CHRM2HTR1A
SCHEMBL23876062 0.84 DRD2 (0.62) DRD2DRD3HTR6CHRM2HTR1A
SCHEMBL23875621 0.82 DRD2 (0.60) DRD2DRD3HTR6CHRM2HTR1A
SCHEMBL7412035 0.81 HTR6 (0.55) DRD2DRD3HTR6CHRM2HTR1A
SCHEMBL7408312 0.79 DRD2 (0.53) DRD2DRD3HTR6CHRM2HTR1A
Iprindole SCHEMBL49509 0.79 HTR6 (1.00) DRD2DRD3HTR6CHRM2HTR1A
SCHEMBL11891460 0.79 HTR6 (1.00) DRD2DRD3HTR6CHRM2HTR1A
Iprindole SCHEMBL29407410 0.79 HTR6 (1.00) DRD2DRD3HTR6CHRM2HTR1A
Iprindole SCHEMBL5705755 0.78 HTR6 (0.97) DRD2DRD3HTR6CHRM2HTR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US claimed
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