SCHEMBL17887765

SCHEMBL17887765

Cc1cccc(Br)c1NC1=NCCN1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.79
ADRA2C P18825 6/20 0.63
ADRA1A P35348 5/20 0.63
CFB P00751 5/20 0.63
KCNH2 Q12809 1/20 0.63
HTR1B P28222 3/20 0.61
ADRA2A P08913 8/20 0.59
ADRA2B P18089 5/20 0.59
ADRA1D P25100 3/20 0.59
ADRA1B P35368 3/20 0.59
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
SLC22A1 O15245 1/20 0.56
SLC22A3 O75751 1/20 0.56
HTR1A P08908 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HRH2 P25021 1/20 0.56
CYP2C19 P33261 1/20 0.56
OPRK1 P41145 1/20 0.56

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
SCHEMBL4760243 0.89 HTR1D (1.00) HTR1DADRA2CADRA1ACFBKCNH2
SCHEMBL11182818 0.89 ADRA2C (0.65) HTR1DADRA2CADRA1ACFBKCNH2
Hydrochloric Acid SCHEMBL11857722 0.87 ADRA2C (0.66) HTR1DADRA2CADRA1ACFBKCNH2
Hydrochloric Acid SCHEMBL29384552 0.87 HTR1D (0.97) HTR1DADRA2CADRA1ACFBKCNH2
SCHEMBL11176814 0.82 ADRA2A (0.79) HTR1DADRA2CADRA1ACFBKCNH2
Romifidine SCHEMBL246009 0.82 ADRA2C (0.56) HTR1DADRA2CADRA1ACFBKCNH2
Romifidine SCHEMBL29761110 0.82 ADRA2C (0.56) HTR1DADRA2CADRA1ACFBKCNH2
Romifidine SCHEMBL1970327 0.81 ADRA2C (0.57) HTR1DADRA2CADRA1ACFBKCNH2
Romifidine SCHEMBL22616284 0.81 ADRA2C (0.55) HTR1DADRA2CADRA1ACFBKCNH2
SCHEMBL4761560 0.79 HTR1D (0.75) HTR1DADRA2CADRA1ACFBKCNH2

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
WO-2016105448-A1 IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS RIDEOUT DARRYL (US) 2016-06-30 WO disclosed