SCHEMBL7407176

SCHEMBL7407176

CN(Cc1ccc(F)cc1)C1CCc2[nH]c3c(F)cccc3c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.39
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
HRH1 P35367 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.35
GRIN2B Q13224 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
SLC6A4 P31645 1/20 0.34
TBXA2R P21731 3/20 0.34
PTGDR Q13258 3/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
HTR6 P50406 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SSTR3 P32745 1/20 0.33
KCNH2 Q12809 1/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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 SCHEMBL7406784 0.99 HTR1F (0.39) HTR1FCYP2D6CHRM1HRH1DRD2
SCHEMBL7407947 0.87 HTR1F (0.41) HTR1FCYP2D6CHRM1HRH1DRD2
SCHEMBL7413545 0.82 HTR1A (0.47) HTR1FCHRM1HTR1AHTR7SLC6A4
SCHEMBL7411041 0.82 GRIN2B (0.41) HTR1FCYP2D6CHRM1HRH1DRD2
Hydrochloric Acid SCHEMBL7408528 0.81 HTR1A (0.46) HTR1FCHRM1HTR1AHTR7SLC6A4
SCHEMBL7416193 0.81 HTR1F (0.36) HTR1FGRIN2BHTR1APTGDR2HTR6
SCHEMBL7408792 0.81 HTR6 (0.38) HTR1FHTR1AHTR6DPP4DPP9
Iodomethane SCHEMBL7409589 0.80 GRIN2B (0.40) HTR1FCYP2D6CHRM1HRH1DRD2
SCHEMBL7414594 0.79 HTR1F (0.48) HTR1FHTR1AHTR7TBXA2RPTGDR
SCHEMBL7414227 0.77 SLC6A2 (0.38) HTR1FGRIN2BHTR1AHTR7SLC6A4

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