SCHEMBL21675422

SCHEMBL21675422

N#CSc1c(F)cc(C#Cc2ccccc2F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.42
FFAR1 O14842 6/20 0.37
FFAR4 Q5NUL3 5/20 0.37
TSPO P30536 1/20 0.37
DRD3 P35462 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
IKBKB O14920 1/20 0.32
PAX8 Q06710 3/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL18626188 0.85 FFAR1 (0.44) FFAR1FFAR4
SCHEMBL24940712 0.84 USP2 (0.30)
SCHEMBL23509926 0.83 CYP11B1 (0.47) FFAR1FFAR4
SCHEMBL21675492 0.82
SCHEMBL23348796 0.81 GRM5 (0.47) GRM5FFAR1FFAR4TSPODRD3
SCHEMBL18626195 0.79 CYP1A1 (0.41) GRM5FFAR1FFAR4TSPODRD3
SCHEMBL24940631 0.77 CYP11B1 (0.39) GRM5FFAR1FFAR4
SCHEMBL20834697 0.76 FFAR1 (0.34) FFAR1FFAR4
SCHEMBL24940737 0.76 ALDH1A1 (0.30)
SCHEMBL20835006 0.76 FFAR1 (0.32) FFAR1FFAR4

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-A1 LIQUID-CRYSTAL LENS Merck Patent GmbH (DE) 2020-01-29 EP disclosed