SCHEMBL7413193

SCHEMBL7413193

Cc1ccc(-c2cccc3c4c([nH]c23)CCC(N(C)C)C4)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.44
HTR7 P34969 14/20 0.44
HTR6 P50406 1/20 0.41
CHRM3 P20309 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL7403937 0.89 HTR1A (0.58) HTR1AHTR7HTR6CHRM3CHRM2
SCHEMBL7410972 0.85 TRPV1 (0.38)
SCHEMBL7408892 0.82 CHRM3 (0.43) HTR1AHTR7CHRM3CHRM2CHRM1
SCHEMBL7409946 0.81 HTR1A (0.61) HTR1AHTR7HTR6
SCHEMBL7407854 0.79 CHRM3 (0.44) HTR1AHTR7CHRM3CHRM2CHRM1
SCHEMBL7412980 0.79 NISCH (0.48) HTR1AHTR7HTR6CHRM3CHRM2
SCHEMBL7413545 0.79 HTR1A (0.47) HTR1AHTR7HTR6CHRM3CHRM2
SCHEMBL7413012 0.79 TAAR1 (0.50) HTR1AHTR7HTR6CHRM3CHRM2
SCHEMBL7402627 0.79 CHRM3 (0.56) HTR1AHTR7CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL7408528 0.78 HTR1A (0.46) HTR1AHTR7HTR6CHRM3CHRM2

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