SCHEMBL9072602

SCHEMBL9072602

CCc1nc(C2CCCC2)c(COCc2cccc(C)c2)c(-c2ccc(F)cc2)c1CO

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.42
GCGR P47871 9/20 0.39
AR P10275 6/20 0.39
DHODH Q02127 1/20 0.37
TRPC3 Q13507 1/20 0.33
TRPC7 Q9HCX4 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
SCHEMBL2648235 0.89 AR (0.41) PRKAA2GCGRAR
SCHEMBL27525530 0.77 AR (0.42) AR
SCHEMBL2647867 0.77 AR (0.41) ARTRPC3TRPC7
SCHEMBL2662929 0.75 PRKAA2 (0.44) PRKAA2GCGR
SCHEMBL2647574 0.74 PRKAA2 (0.47) PRKAA2GCGRDHODH
SCHEMBL2662912 0.73 PRKAA2 (0.45) PRKAA2GCGR
SCHEMBL2646810 0.71 PRKAA2 (0.47) PRKAA2GCGR
SCHEMBL27525559 0.71 PRKAA2 (0.51) PRKAA2GCGRDHODH
SCHEMBL8949900 0.65 GCGR (0.62) PRKAA2GCGR
SCHEMBL6958229 0.65 GCGR (0.70) GCGR

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
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed