SCHEMBL6088342

SCHEMBL6088342

Cc1cccc(COc2cccc(OCc3ccc4cc(F)cc(F)c4n3)c2)c1OCC#N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.35
GPBAR1 Q8TDU6 6/20 0.35
CYSLTR2 Q9NS75 4/20 0.35
DHFR P00374 1/20 0.34
DCPS Q96C86 1/20 0.34
PDE10A Q9Y233 1/20 0.33
GRM5 P41594 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL6091137 0.86 CYSLTR1 (0.45) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL6089349 0.85 CYSLTR1 (0.44) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6090077 0.84 CYSLTR1 (0.42) CYSLTR1GPBAR1CYSLTR2FFAR1
SCHEMBL6087968 0.82 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL7469798 0.82 CYSLTR1 (0.40) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL7469808 0.82 CYSLTR1 (0.40) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL6087715 0.80 CYSLTR1 (0.40) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL6089788 0.80 CYSLTR1 (0.43) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089679 0.79 GPBAR1 (0.43) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL6089925 0.77 ABCB1 (0.42) FFAR1

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-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed