SCHEMBL23310001

SCHEMBL23310001

CCCc1ccc(C#Cc2cc(F)c(SC#N)c(F)c2)c(CC)c1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.33
FFAR4 Q5NUL3 4/20 0.33
TSPO P30536 1/20 0.31
DRD3 P35462 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
SCHEMBL23310015 0.93 TYR (0.33) FFAR1FFAR4
SCHEMBL23309988 0.92 TYR (0.34) FFAR1FFAR4
SCHEMBL20835010 0.86 FFAR1 (0.33) FFAR1FFAR4
SCHEMBL20834704 0.85 FFAR1 (0.34) FFAR1FFAR4
SCHEMBL20834913 0.85 FFAR1 (0.31) FFAR1FFAR4
SCHEMBL20834902 0.83 FFAR1 (0.30) FFAR1FFAR4
SCHEMBL20834702 0.81 FFAR1 (0.35) FFAR1FFAR4TSPODRD3
SCHEMBL24940677 0.79 FFAR1 (0.37) FFAR1FFAR4
SCHEMBL24940763 0.79 FFAR1 (0.32) FFAR1FFAR4TSPODRD3
SCHEMBL20834943 0.79 TYR (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681976-B1 ISOTHIOCYANATO TOLANE DERIVATIVES MERCK PATENT GMBH (DE) 2021-05-26 EP disclosed
US-20210122977-A1 ISOTHIOCYANATO TOLANE DERIVATIVES MERCK PATENT GMBH (DE) 2021-04-29 US disclosed