SCHEMBL7408097

SCHEMBL7408097

Cc1cccc2c3c([nH]c12)CCC(N1CCCC1)C3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.41
HRH4 Q9H3N8 1/20 0.40
CTSK P43235 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
ALOX15 P16050 2/20 0.37
CFTR P13569 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.36
MAPK10 P53779 1/20 0.36
RIPK1 Q13546 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL7407267 0.79 NR2E1 (0.58) HTR1DNR2E1
SCHEMBL7412946 0.77 NR2E1 (0.57) HTR1DKDM4EALDH1A1MAPTMAPK1
SCHEMBL7404953 0.77 GFER (0.40) CTSKALOX15CFTRALDH1A1GFER
SCHEMBL7408892 0.75 CHRM3 (0.43) HTR1DHTR1AHTR7MAPK10RIPK1
SCHEMBL14115028 0.74 GFER (0.55) ALOX15KDM4ENPC1ALDH1A1RAB9A
SCHEMBL26246971 0.74 GFER (0.59) ALOX15KDM4EALDH1A1GFERMAPK10
SCHEMBL14591377 0.74 HTR1D (0.51) HTR1DHTR1AHTR7
SCHEMBL14591337 0.74 HTR1D (0.51) HTR1DHTR1AHTR7
SCHEMBL7410485 0.72 CGAS (0.42) HTR1DHRH4HTR1AHTR7ALDH1A1
SCHEMBL7408992 0.71 HTR1D (0.40) HTR1DHRH4HTR1AHTR7CFTR

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