SCHEMBL7464791

SCHEMBL7464791

Cc1ccc(Cl)c2[nH]c3c(c12)CC(N(C)C)CC3

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.38
HTR7 P34969 6/20 0.38
HTR1F P30939 1/20 0.38
CHRM3 P20309 2/20 0.36
HTR1D P28221 5/20 0.36
HTR1B P28222 4/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
HTR6 P50406 1/20 0.34

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 0.91 HTR1A (0.40) HTR1AHTR7HTR1FCHRM3HTR1D
SCHEMBL7413369 0.84 HTR1F (0.42) HTR1AHTR7HTR1FCHRM3HTR1D
SCHEMBL7403668 0.84 CHRM3 (0.47) HTR1AHTR7CHRM3HTR1DHTR1B
SCHEMBL7411581 0.84 HTR1F (0.36) HTR1AHTR7HTR1FCHRM3HTR1D
SCHEMBL7411518 0.81 HTR1A (0.37) HTR1AHTR7HTR1FCHRM3HTR1D
SCHEMBL7411269 0.79 HTR1F (0.36) HTR1F
Hydrochloric Acid SCHEMBL7414478 0.78 HTR1F (0.35) HTR1F
SCHEMBL7413012 0.77 TAAR1 (0.50) HTR1AHTR7HTR1FCHRM3HTR1D
SCHEMBL7410925 0.76 CHRM3 (0.43) HTR1AHTR7HTR1FCHRM3HTR1D
SCHEMBL6823728 0.75 ADRA2A (0.38)

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