SCHEMBL8714322

SCHEMBL8714322

COC1C(c2nccn2C)C(OCc2ccc3ccccc3n2)CCC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
PDE10A Q9Y233 4/20 0.34
CYP1A2 P05177 2/20 0.34
ALOX5 P09917 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL8714661 0.92 PDE10A (0.36) PDE10AHCRTR1HCRTR2MCHR1
SCHEMBL8717311 0.83 PDE10A (0.36) ALOX5APCYSLTR2CYSLTR1PDE10ACYP1A2
SCHEMBL8717767 0.81 ALOX5AP (0.37) ALOX5APCYSLTR2CYSLTR1PDE10ACYP1A2
SCHEMBL8714475 0.80 HRH3 (0.34) MCHR1
SCHEMBL8714319 0.77 ALOX5AP (0.35) ALOX5APCYSLTR2CYSLTR1PDE10AHCRTR1
SCHEMBL8715857 0.77 ALOX5AP (0.38) ALOX5APCYSLTR2CYSLTR1ALOX5
SCHEMBL9244554 0.77 ALOX5AP (0.38) ALOX5APCYSLTR2CYSLTR1ALOX5
SCHEMBL9244604 0.76 CALCA (0.36) ALOX5APCYSLTR2CYSLTR1PDE10AHCRTR1
SCHEMBL9244600 0.76 CALCA (0.36) ALOX5APCYSLTR2CYSLTR1PDE10AHCRTR1
SCHEMBL8714510 0.75 PDE10A (0.39) PDE10AHCRTR1HCRTR2

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-5719291-A FUNGICIDE HOFFMANN-LA ROCHE INC. (US) 1998-02-17 US disclosed