SCHEMBL29423913

SCHEMBL29423913

CCOC(=O)[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc(Cl)cc5C(F)(F)F)ccc4F)ccc3[C@@H]21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.43
FFAR4 Q5NUL3 5/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
SCN9A Q15858 2/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
SCN3A Q9NY46 2/20 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
SCHEMBL18940314 0.90 FFAR1 (0.47) FFAR1FFAR4SCN9ASCN3A
SCHEMBL23927781 0.90 FFAR1 (0.47) FFAR1FFAR4SCN9ASCN3A
SCHEMBL29423955 0.87 FFAR1 (0.45) FFAR1FFAR4CYP11B1CYP11B2
SCHEMBL29423951 0.84 FFAR1 (0.39) FFAR1
SCHEMBL29423900 0.82 FFAR1 (0.44) FFAR1FFAR4PPARGPPARASCN3A
SCHEMBL29423916 0.81 FFAR1 (0.42) FFAR1SCN9APPARG
SCHEMBL15474005 0.80 FFAR1 (0.52) FFAR1FFAR4CYP11B1CYP11B2
SCHEMBL15471457 0.79 FFAR1 (0.51) FFAR1CYP11B1CYP11B2
SCHEMBL15473999 0.79 FFAR1 (0.50) FFAR1CYP11B1CYP11B2
SCHEMBL29423905 0.78 FFAR1 (0.42) FFAR1SCN3A

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-3974413-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-03-30 EP disclosed