SCHEMBL7417232

SCHEMBL7417232

CN(C)C1CCc2[nH]c3c(C(=O)OCc4ccccc4)cccc3c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.39
HTR1F P30939 1/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.38
DHFR P00374 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7417151 0.92 HTR1F (0.47) GFERHTR1FL3MBTL1MAPK1RAB9A
SCHEMBL7412952 0.88 RAB9A (0.45) GFERALDH1A1L3MBTL1MAPK1RAB9A
Hydrochloric Acid SCHEMBL7407346 0.87 ALDH1A1 (0.44) GFERALDH1A1HTR1FTSHRMAPK1
SCHEMBL7407705 0.86 CHRM2 (0.39) GFERALDH1A1HTR1FMAPK1ALOX15
SCHEMBL7409117 0.83 GFER (0.59) GFERTDP1HTR1FMAPK1ALOX15
SCHEMBL7412016 0.82 HTR1F (0.40) HTR1FMAPK1CASP3RAB9ASENP7
Water SCHEMBL7414567 0.82 GFER (0.57) GFERTDP1HTR1FMAPK1ALOX15
SCHEMBL7409296 0.81 HTR6 (0.41) HTR1FMAPT
SCHEMBL11347383 0.81 CHRM2 (0.43) TDP1HTR1FL3MBTL1MAPK1MAPT
SCHEMBL7413250 0.80 GFER (0.45) GFERHTR1FMAPK1ALOX15CASP1

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