SCHEMBL7412016

SCHEMBL7412016

CN(C)C1CCc2[nH]c3c(COC(=O)c4ccccc4)cccc3c2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.40
PPARG P37231 1/20 0.40
HTR6 P50406 4/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CES2 O00748 1/20 0.36
CHRM3 P20309 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
SCHEMBL7411494 0.92 HTR1F (0.41) HTR1FHTR6MEN1NPC1MAPT
SCHEMBL7411529 0.90 HTR1F (0.43) HTR1FHTR6
SCHEMBL7417232 0.82 BRD4 (0.41) HTR1FMAPK1MEN1MAPTCASP3
SCHEMBL7409286 0.82 HTR1F (0.37) HTR1FHTR6KMT2ACHRM3
SCHEMBL7407854 0.81 CHRM3 (0.44) HTR1FCHRM3
SCHEMBL7410521 0.81 HTR1F (0.41) HTR1FHTR6CHRM3
Hydrochloric Acid SCHEMBL7407442 0.80 HTR1F (0.41) HTR1FHTR6CHRM3
SCHEMBL7412099 0.78 CHRM3 (0.40) HTR1FCHRM3
SCHEMBL7409296 0.77 HTR6 (0.41) HTR1FHTR6MAPT
Hydrochloric Acid SCHEMBL7407346 0.77 ALDH1A1 (0.44) HTR1FMAPK1

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