SCHEMBL7407128

SCHEMBL7407128

CN(C)C1CCc2[nH]c3ccc(F)cc3c2C1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.67
VPS4B O75351 1/20 0.47
VCP P55072 1/20 0.47
SLC6A4 P31645 6/20 0.47
HTR6 P50406 3/20 0.46
BAZ2B Q9UIF8 1/20 0.46
HTR1B P28222 5/20 0.45
HTR1D P28221 4/20 0.45
HTR1A P08908 2/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7408494 0.89 HTR1F (0.58) HTR1FSLC6A4HTR6HTR1BHTR1D
SCHEMBL7403681 0.85 HTR1F (0.56) HTR1FSLC6A4BAZ2BHTR1BHTR1D
SCHEMBL7417626 0.84 HTR1F (0.55) HTR1FSLC6A4HTR6BAZ2BHTR1B
SCHEMBL6963427 0.84 HTR1F (0.58) HTR1FHTR1BHTR1DHTR1ADRD1
SCHEMBL7410109 0.84 HTR1F (0.55) HTR1FHTR6BAZ2BHTR1BHTR1D
SCHEMBL6964061 0.84 HTR1F (0.55) HTR1FSLC6A4HTR6BAZ2BHTR1B
Hydrochloric Acid SCHEMBL6959661 0.83 HTR1F (0.54) HTR1FSLC6A4HTR6BAZ2BHTR1B
Iodide SCHEMBL6963382 0.83 HTR1F (0.54) HTR1FSLC6A4HTR6BAZ2BHTR1B
Iodide SCHEMBL6963386 0.83 HTR1F (0.54) HTR1FSLC6A4HTR6BAZ2BHTR1B
Hydrochloric Acid SCHEMBL7653861 0.83 HTR1F (0.54) HTR1FHTR6BAZ2BHTR1BHTR1D

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