SCHEMBL7409286

SCHEMBL7409286

CCCCCC(=O)OCc1cccc2c3c([nH]c12)CCC(N(C)C)C3

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.37
CHRM3 P20309 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR6 P50406 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL7412016 0.82 HTR1F (0.40) HTR1FCHRM3KMT2AHTR6
SCHEMBL7407854 0.78 CHRM3 (0.44) HTR1FCHRM3
SCHEMBL7411529 0.78 HTR1F (0.43) HTR1FALDH1A1HTR6
Hydrochloric Acid SCHEMBL7407346 0.75 ALDH1A1 (0.44) HTR1FALDH1A1
SCHEMBL7417232 0.72 BRD4 (0.41) HTR1FKMT2AALDH1A1
SCHEMBL7409296 0.71 HTR6 (0.41) HTR1FHTR6
Water SCHEMBL7414567 0.71 GFER (0.57) HTR1FCHRM3KMT2AHTR6
Hydrochloric Acid SCHEMBL7408008 0.71 CHRM3 (0.55) HTR1FCHRM3
SCHEMBL7417151 0.70 HTR1F (0.47) HTR1FCHRM3HTR6
SCHEMBL7409054 0.69 LMNA (0.39) HTR1FCHRM3HTR6

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