SCHEMBL26419960

SCHEMBL26419960

CC(C)(F)Cn1cc(C(N)=O)c(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
KLKB1 P03952 8/20 0.37
ADRA1D P25100 1/20 0.37
GRM2 Q14416 1/20 0.35
STING1 Q86WV6 1/20 0.34
DGAT1 O75907 1/20 0.34
GRM1 Q13255 1/20 0.34
MPO P05164 1/20 0.34

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
SCHEMBL17067013 0.84 L3MBTL1 (0.40) LMNAPOLBGAAKLKB1GRM2
SCHEMBL26406052 0.83 ADORA3 (0.38) LMNAADORA3KLKB1ADRA1D
SCHEMBL26406187 0.83 ADORA3 (0.41) LMNAADORA3KLKB1ADRA1D
SCHEMBL26135704 0.79 ADORA3 (0.36) ADORA3KLKB1ADRA1D
SCHEMBL970933 0.79 GAA (0.55) LMNAPOLBGAASTING1
SCHEMBL26420237 0.78 AR (0.36) ADORA3ADRA1D
SCHEMBL21408586 0.76 LMNA (0.39) LMNAPOLBGAAKLKB1DGAT1
SCHEMBL23212135 0.75 PARP1 (0.56) KLKB1DGAT1
SCHEMBL26425850 0.75 LMNA (0.40) LMNAPOLBKLKB1DGAT1
SCHEMBL20521837 0.73 GAA (0.53) GAAKLKB1GRM2DGAT1

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
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed