SCHEMBL23927781

SCHEMBL23927781

O=C(O)C1C2Cc3cc(OCc4cc(-c5cnc(Cl)cc5C(F)(F)F)ccc4F)ccc3C21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.47
FFAR4 Q5NUL3 10/20 0.38
SCN9A Q15858 2/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
SCN3A Q9NY46 1/20 0.33
ALKBH1 Q13686 1/20 0.33

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
SCHEMBL18940314 1.00 FFAR1 (0.47) FFAR1FFAR4SCN9AEDNRBEDNRA
SCHEMBL29423913 0.90 FFAR1 (0.43) FFAR1FFAR4SCN9ASCN3A
SCHEMBL16855673 0.85 FFAR1 (0.51) FFAR1FFAR4ALKBH1
SCHEMBL29423892 0.85 FFAR1 (0.51) FFAR1FFAR4ALKBH1
SCHEMBL16829648 0.85 FFAR1 (0.51) FFAR1FFAR4ALKBH1
SCHEMBL16846007 0.85 FFAR1 (0.51) FFAR1FFAR4ALKBH1
SCHEMBL16845954 0.83 FFAR1 (0.42) FFAR1FFAR4EDNRBEDNRA
SCHEMBL23952766 0.83 FFAR1 (0.42) FFAR1FFAR4EDNRBEDNRA
SCHEMBL29423947 0.79 FFAR1 (0.46) FFAR1FFAR4ALKBH1
SCHEMBL16846006 0.79 FFAR1 (0.46) FFAR1FFAR4ALKBH1

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-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed