SCHEMBL9070164

SCHEMBL9070164

CCc1ccc(C)c(CC)c1NC1=NCCN1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.56
HTR1B P28222 3/20 0.50
CFB P00751 4/20 0.49
ADRA2C P18825 10/20 0.48
ADRA2A P08913 10/20 0.48
ADRA2B P18089 9/20 0.48
ADRA1A P35348 4/20 0.48
ADRA1D P25100 3/20 0.48
ADRA1B P35368 3/20 0.48
KCNH2 Q12809 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
SLC22A1 O15245 1/20 0.46
SLC22A3 O75751 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HRH2 P25021 1/20 0.46
CYP2C19 P33261 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL4761139 0.82 HTR1D (0.75) HTR1DHTR1BCFBADRA2CADRA2A
SCHEMBL4762027 0.81 HTR1D (0.64) HTR1DHTR1BCFBADRA2CADRA2A
Hydrochloric Acid SCHEMBL11769742 0.80 HTR1D (0.62) HTR1DHTR1BCFBADRA2CADRA2A
SCHEMBL9069376 0.76 CFB (0.51) HTR1DCFBADRA2CADRA2AADRA2B
SCHEMBL6054568 0.74 ADRA2A (0.67) HTR1DHTR1BADRA2CADRA2AADRA2B
SCHEMBL4760243 0.72 HTR1D (1.00) HTR1DHTR1BCFBADRA2CADRA2A
Hydrochloric Acid SCHEMBL29384552 0.71 HTR1D (0.97) HTR1DHTR1BCFBADRA2CADRA2A
SCHEMBL11187565 0.69 HTR1D (0.76) HTR1DHTR1BCFBADRA2CADRA2A
SCHEMBL11185198 0.69 HTR1D (0.58) HTR1DHTR1BCFBADRA2CADRA2A
SCHEMBL5612003 0.69 ADRA2A (0.43) HTR1DHTR1BCFBADRA2CADRA2A

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-5527830-A Drugs for the treatment of cardiac arrest and other shock states THE OHIO STATE UNIVERSITY (US) 1996-06-18 US disclosed