SCHEMBL8007284

SCHEMBL8007284

CC1(C)NC(=O)C(c2ccc(CCc3ccc4ccccc4n3)cc2)=C1O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38
PDE10A Q9Y233 9/20 0.37
CYP1A2 P05177 1/20 0.36
CYSLTR1 Q9Y271 4/20 0.36
CYSLTR2 Q9NS75 3/20 0.36
ALOX5 P09917 3/20 0.36

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
SCHEMBL1420404 0.83 GPBAR1 (0.52) FFAR1AKR1B1PDE10ACYSLTR1CYSLTR2
SCHEMBL7987104 0.76 PDE10A (0.43) FFAR1AKR1B1PDE10ACYP1A2CYSLTR1
SCHEMBL15549053 0.72 CYSLTR1 (0.51) FFAR1AKR1B1PDE10ACYP1A2CYSLTR1
SCHEMBL11941307 0.72 PTGS2 (0.46)
Hydrochloric Acid SCHEMBL15549056 0.71 CYSLTR1 (0.50) FFAR1AKR1B1PDE10ACYP1A2CYSLTR1
SCHEMBL12169108 0.70 PDE10A (0.55) PDE10ACYSLTR1CYSLTR2
SCHEMBL28001711 0.69 PDE10A (0.51) FFAR1AKR1B1PDE10ACYP1A2CYSLTR1
SCHEMBL3950944 0.69 KCNH2 (0.61) FFAR1AKR1B1PDE10ACYP1A2CYSLTR1
SCHEMBL3271805 0.68 GPBAR1 (0.62) FFAR1AKR1B1PDE10ACYSLTR1CYSLTR2
SCHEMBL1695706 0.68 AKR1B1 (0.56) FFAR1AKR1B1CYP1A2CYSLTR1CYSLTR2

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-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed