SCHEMBL8717767

SCHEMBL8717767

Cn1ccnc1C1CC(C)(C)CCC1OCc1ccc2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
PDE10A Q9Y233 5/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX5 P09917 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
LGALS3 P17931 1/20 0.34
PDE4D Q08499 1/20 0.34
BRD4 O60885 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
SCHEMBL8714391 0.91 PDE10A (0.38) ALOX5APCYSLTR1CYSLTR2PDE10ACYP1A2
SCHEMBL8717846 0.82 ALOX5AP (0.37) ALOX5APCYSLTR1CYSLTR2PDE10ACYP1A2
SCHEMBL8714994 0.81 SLC18A2 (0.36)
SCHEMBL8714322 0.81 ALOX5AP (0.35) ALOX5APCYSLTR1CYSLTR2PDE10ACYP1A2
SCHEMBL8714386 0.80 LTB4R (0.31) PDE10A
SCHEMBL8714354 0.78 HRH3 (0.36)
SCHEMBL8717764 0.77 BRD4 (0.36) ALOX5APCYSLTR1CYSLTR2PDE10ACYP1A2
SCHEMBL8715873 0.76 CYSLTR1 (0.40) ALOX5APCYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9243625 0.76 CYSLTR1 (0.40) ALOX5APCYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9244356 0.76 PDE10A (0.35) ALOX5APCYSLTR1CYSLTR2PDE10ACYP1A2

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