SCHEMBL7411518

SCHEMBL7411518

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.37
HTR7 P34969 5/20 0.37
CHRM3 P20309 2/20 0.35
HTR1D P28221 5/20 0.35
HTR1B P28222 4/20 0.35
HTR1F P30939 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR6 P50406 5/20 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 0.89 HTR1A (0.40) HTR1AHTR7CHRM3HTR1DHTR1B
SCHEMBL7410902 0.85 HTR1F (0.39) HTR1AHTR7CHRM3HTR1DHTR1B
SCHEMBL7464791 0.81 HTR1A (0.38) HTR1AHTR7CHRM3HTR1DHTR1B
SCHEMBL22787309 0.80 TP53 (0.44)
SCHEMBL7403668 0.78 CHRM3 (0.47) HTR1AHTR7CHRM3HTR1DHTR1B
SCHEMBL7411581 0.78 HTR1F (0.36) HTR1AHTR7CHRM3HTR1DHTR1B
SCHEMBL7405543 0.76 HTR1A (0.47) HTR1AHTR7CHRM3HTR1DHTR1B
SCHEMBL7412980 0.76 NISCH (0.48) HTR1AHTR7CHRM3HTR1DHTR1B
SCHEMBL7413012 0.74 TAAR1 (0.50) HTR1AHTR7CHRM3HTR1DHTR1B
SCHEMBL22787314 0.73 AR (0.37)

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