SCHEMBL23348796

SCHEMBL23348796

N#CSc1ccc(C#Cc2ccccc2F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.47
FFAR1 O14842 7/20 0.41
FFAR4 Q5NUL3 6/20 0.41
TSPO P30536 1/20 0.41
DRD3 P35462 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.33
PAX8 Q06710 3/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL18626181 0.86 FFAR1 (0.43) GRM5FFAR1FFAR4TSPODRD3
SCHEMBL18626182 0.84 CYP11B1 (0.45) GRM5FFAR1FFAR4TSPODRD3
SCHEMBL18626194 0.82 CYP1A1 (0.40) GRM5FFAR1FFAR4TSPODRD3
SCHEMBL21675422 0.81 GRM5 (0.42) GRM5FFAR1FFAR4TSPODRD3
SCHEMBL20749389 0.78 ALDH1A1 (0.38) GRM5FFAR1FFAR4CA12CA2
SCHEMBL20228244 0.77 CYP11B1 (0.39) FFAR1FFAR4
SCHEMBL18842350 0.76 GRM5 (0.40) GRM5FFAR1FFAR4TSPODRD3
SCHEMBL20228301 0.75 ALDH1A1 (0.35) GRM5FFAR1FFAR4CA12CA2
SCHEMBL22622676 0.73 SCN5A (0.35) CA12CA9
SCHEMBL24296671 0.72 FFAR1 (0.37) FFAR1FFAR4TSPODRD3CA12

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
EP-3599266-B1 LIQUID-CRYSTAL LENS MERCK PATENT GMBH (DE) 2021-05-12 EP disclosed