SCHEMBL7409139

SCHEMBL7409139

Cc1cc(Cl)c2c3c([nH]c2c1)CCC(N(C)C)C3

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.40
HTR1A P08908 7/20 0.38
HTR7 P34969 7/20 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
HTR6 P50406 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 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
SCHEMBL7414253 0.88 HTR1A (0.42) HTR1FHTR1AHTR7CHRM3HTR1D
SCHEMBL7413544 0.86 HTR1F (0.41) HTR1FCHRM3HTR1DHTR1BCHRM2
SCHEMBL7405543 0.83 HTR1A (0.47) HTR1FHTR1AHTR7CHRM3HTR1D
SCHEMBL7402841 0.82 HTR1F (0.42) HTR1FHTR1AHTR7CHRM3HTR1D
SCHEMBL7407453 0.76 HTR1F (0.48) HTR1FCHRM3HTR1DHTR1BHTR6
SCHEMBL7410925 0.76 CHRM3 (0.43) HTR1FHTR1AHTR7CHRM3HTR1D
SCHEMBL7410893 0.74 HTR1A (0.40) HTR1FHTR1AHTR7CHRM3HTR1D
SCHEMBL7464791 0.74 HTR1A (0.38) HTR1FHTR1AHTR7CHRM3HTR1D
SCHEMBL7403681 0.73 HTR1F (0.56) HTR1FHTR1DHTR1B
SCHEMBL7404381 0.72 HTR1F (0.50) HTR1FHTR1ACHRM3HTR1DHTR1B

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