SCHEMBL7410902

SCHEMBL7410902

CN(C)C1CCc2[nH]c3c(Br)ccc(F)c3c2C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.39
HTR1A P08908 4/20 0.37
HTR7 P34969 4/20 0.37
HTR6 P50406 6/20 0.36
CHRM3 P20309 2/20 0.35
HTR1D P28221 5/20 0.35
HTR1B P28222 4/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL7408119 0.89 HTR1F (0.42) HTR1FHTR1AHTR7HTR6CHRM3
SCHEMBL7411518 0.85 HTR1A (0.37) HTR1FHTR1AHTR7HTR6CHRM3
SCHEMBL7413369 0.81 HTR1F (0.42) HTR1FHTR1AHTR7CHRM3HTR1D
SCHEMBL7408361 0.76 HTR1A (0.50) HTR1FHTR1AHTR7HTR6CHRM3
SCHEMBL7412980 0.76 NISCH (0.48) HTR1FHTR1AHTR7HTR6CHRM3
SCHEMBL7409143 0.75 HTR1F (0.47) HTR1FHTR1AHTR7HTR6CHRM3
Hydrochloric Acid SCHEMBL7410356 0.74 HTR1F (0.46) HTR1FHTR1AHTR7HTR6CHRM3
SCHEMBL7413545 0.74 HTR1A (0.47) HTR1FHTR1AHTR7HTR6CHRM3
SCHEMBL7410893 0.73 HTR1A (0.40) HTR1FHTR1AHTR7HTR6CHRM3
Hydrochloric Acid SCHEMBL7408528 0.73 HTR1A (0.46) HTR1FHTR1AHTR7HTR6CHRM3

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