SCHEMBL7409574

SCHEMBL7409574

CCOC(=O)c1cccc2c3c([nH]c12)CCC(N(C)C)C3

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CLEC4M Q9H2X3 1/20 0.44
GFER P55789 1/20 0.41
HTR1F P30939 1/20 0.41
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CDC25B P30305 1/20 0.39
DHFR P00374 1/20 0.39

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
Hydrochloric Acid SCHEMBL7407346 0.99 ALDH1A1 (0.44) ALDH1A1CLEC4MGFERHTR1FALOX15
SCHEMBL7417232 0.88 BRD4 (0.41) ALDH1A1GFERHTR1FALOX15MAPK1
SCHEMBL7417151 0.85 HTR1F (0.47) GFERHTR1FALOX15MAPK1CASP1
SCHEMBL7409117 0.84 GFER (0.59) GFERHTR1FALOX15MAPK1CASP1
SCHEMBL7410680 0.83 ALOX15 (0.60) ALDH1A1GFERHTR1FALOX15MAPK1
Water SCHEMBL7414567 0.83 GFER (0.57) GFERHTR1FALOX15MAPK1CASP1
SCHEMBL7413250 0.83 GFER (0.45) GFERHTR1FALOX15MAPK1CASP1
SCHEMBL7410084 0.83 HTR1F (0.41) HTR1FMAPK1HSD17B10TSHR
SCHEMBL7407705 0.82 CHRM2 (0.39) ALDH1A1GFERHTR1FALOX15MAPK1
SCHEMBL7412952 0.82 RAB9A (0.45) ALDH1A1GFERALOX15MAPK1CASP1

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