SCHEMBL7987104

SCHEMBL7987104

COc1ccc(C2=C(c3ccc(CCCc4ccc5ccccc5n4)cc3)C(=O)NC2(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYSLTR1 Q9Y271 4/20 0.40
CYSLTR2 Q9NS75 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35

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
SCHEMBL1420106 0.85 PDE10A (0.59) PDE10ACYSLTR1CYSLTR2
SCHEMBL12169115 0.78 PDE10A (0.59) PDE10ACYSLTR1CYSLTR2
SCHEMBL1419989 0.77 PDE10A (0.58) PDE10A
SCHEMBL8007284 0.76 FFAR1 (0.38) PDE10ACYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL28002003 0.73 MEN1 (0.55) PDE10AMEN1KMT2ACYSLTR1CYSLTR2
SCHEMBL1557935 0.71 PTGS1 (0.53) PDE10AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL12169108 0.71 PDE10A (0.55) PDE10ACYSLTR1CYSLTR2
SCHEMBL1420404 0.70 GPBAR1 (0.52) PDE10ACYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL3328309 0.69 PDE10A (0.56) PDE10ACYSLTR1CYSLTR2
SCHEMBL1420352 0.69 PDE10A (0.57) PDE10ACYSLTR1CYSLTR2

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