SCHEMBL7985396

SCHEMBL7985396

NC(c1ccccc1)c1ccccc1CCO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
MPO P05164 1/20 0.38
TPO P07202 1/20 0.38
DPP4 P27487 2/20 0.37
F2 P00734 1/20 0.37
HTR2A P28223 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL8558251 0.79 TAAR1 (0.43) MPOTPODPP4F2HTR2A
Hydrochloric Acid SCHEMBL8865240 0.77 TAAR1 (0.41) MPOTPODPP4F2HTR2A
SCHEMBL8958232 0.77 OPRM1 (0.42) MPOTPODPP4F2HTR2A
SCHEMBL9719141 0.75 DPP4 (0.55) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL17871883 0.73 SLC6A4 (0.48) TDP1HTR2AKDM4E
SCHEMBL8555524 0.73 HTR2A (0.40) MPOTPODPP4F2HTR2A
SCHEMBL10900322 0.73 MEN1 (0.38) TDP1LMNA
SCHEMBL6055136 0.72 GABRA1 (0.48) TDP1LMNAHIF1A
SCHEMBL30606846 0.72 GABRA1 (0.48) TDP1LMNAHIF1A
Hydrochloric Acid SCHEMBL8596089 0.71 CYP3A4 (0.42) MPOTPOHTR2ATAAR1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed