SCHEMBL7411581

SCHEMBL7411581

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.36
HTR1A P08908 7/20 0.36
HTR7 P34969 7/20 0.36
HTR6 P50406 2/20 0.35
CHRM3 P20309 2/20 0.34
HTR1D P28221 5/20 0.34
HTR1B P28222 4/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL7410893 0.87 HTR1A (0.40) HTR1FHTR1AHTR7HTR6CHRM3
SCHEMBL7464791 0.84 HTR1A (0.38) HTR1FHTR1AHTR7HTR6CHRM3
SCHEMBL7403668 0.81 CHRM3 (0.47) HTR1AHTR7HTR6CHRM3HTR1D
SCHEMBL7411518 0.78 HTR1A (0.37) HTR1FHTR1AHTR7HTR6CHRM3
SCHEMBL7408846 0.78 HTR1F (0.41) HTR1FHTR1AHTR7CHRM3HTR1D
SCHEMBL7410316 0.76 HTR1F (0.40) HTR1FHTR1AHTR7HTR6HTR1D
SCHEMBL7413012 0.74 TAAR1 (0.50) HTR1FHTR1AHTR7HTR6CHRM3
SCHEMBL7408119 0.74 HTR1F (0.42) HTR1FHTR1AHTR7HTR6CHRM3
SCHEMBL7411269 0.74 HTR1F (0.36) HTR1F
Hydrochloric Acid SCHEMBL7414478 0.73 HTR1F (0.35) HTR1F

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