SCHEMBL7409296

SCHEMBL7409296

COc1ccc(COC(=O)c2cccc3c4c([nH]c23)CCC(N(C)C)C4)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
HTR2A P28223 1/20 0.36
HTR1F P30939 1/20 0.35

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
SCHEMBL7407705 0.81 CHRM2 (0.39) TP53MAPTHTR1F
SCHEMBL7417232 0.81 BRD4 (0.41) MAPTHTR1F
SCHEMBL7409574 0.80 ALDH1A1 (0.45) TP53HTR1F
SCHEMBL7408368 0.80 MAPT (0.41) HTR6TP53MAPTPTGDR2
Hydrochloric Acid SCHEMBL7407346 0.80 ALDH1A1 (0.44) TP53HTR1F
SCHEMBL7417151 0.78 HTR1F (0.47) HTR6TP53PTGDR2HTR1F
SCHEMBL7402708 0.78 HTR1D (0.45) HTR6MAPTHTR2AHTR1F
SCHEMBL7412016 0.77 HTR1F (0.40) HTR6MAPTHTR1F
SCHEMBL7412952 0.76 RAB9A (0.45) MAPT
SCHEMBL7411494 0.76 HTR1F (0.41) HTR6MAPTHTR1F

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