SCHEMBL7413545

SCHEMBL7413545

CN(C)C1CCc2[nH]c3c(F)cccc3c2C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.47
HTR7 P34969 8/20 0.47
SLC6A4 P31645 1/20 0.45
HTR1F P30939 1/20 0.45
HTR6 P50406 2/20 0.44
CHRM3 P20309 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR1D P28221 3/20 0.39
HTR1B P28222 3/20 0.39

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 SCHEMBL7408528 0.99 HTR1A (0.46) HTR1AHTR7SLC6A4HTR1FHTR6
SCHEMBL7411699 0.92 HTR1F (0.47) HTR1AHTR7SLC6A4HTR1FHTR6
SCHEMBL7408892 0.85 CHRM3 (0.43) HTR1AHTR7HTR1FCHRM3CHRM2
SCHEMBL7413012 0.84 TAAR1 (0.50) HTR1AHTR7SLC6A4HTR1FHTR6
SCHEMBL7402627 0.84 CHRM3 (0.56) HTR1AHTR7HTR1FCHRM3CHRM2
SCHEMBL7412980 0.84 NISCH (0.48) HTR1AHTR7SLC6A4HTR1FHTR6
SCHEMBL7403937 0.83 HTR1A (0.58) HTR1AHTR7HTR1FHTR6CHRM3
Hydrochloric Acid SCHEMBL7408008 0.83 CHRM3 (0.55) HTR1AHTR7HTR1FCHRM3CHRM2
SCHEMBL7407176 0.82 HTR1F (0.39) HTR1AHTR7SLC6A4HTR1FHTR6
SCHEMBL7409157 0.82 CHRM3 (0.41) HTR1AHTR7SLC6A4HTR1FCHRM3

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