SCHEMBL29011972

SCHEMBL29011972

CC(C)(C)OC(=O)N1CCC(c2cnc(N)cc2C2CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
ALOX5AP P20292 2/20 0.48
FEN1 P39748 2/20 0.48
TRPC6 Q9Y210 5/20 0.48
GPR119 Q8TDV5 5/20 0.47
NAMPT P43490 1/20 0.45
HPGDS O60760 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL30439769 1.00 KDM4E (0.50) KDM4EMAPTTHRBALOX5APFEN1
SCHEMBL1807109 0.89 TRPC6 (0.52) KDM4EMAPTTHRBALOX5APFEN1
SCHEMBL21245878 0.88 ALOX5AP (0.52) KDM4EMAPTTHRBALOX5APFEN1
SCHEMBL21045647 0.87 TRPC6 (0.63) TRPC6
SCHEMBL30439661 0.87 TRPC6 (0.63) TRPC6
SCHEMBL21081312 0.85 TRPC6 (0.56) KDM4EMAPTTHRBTRPC6GPR119
SCHEMBL29773977 0.85 TRPC6 (0.56) KDM4EMAPTTHRBTRPC6GPR119
SCHEMBL30244696 0.81 LRRK2 (0.45) KDM4EMAPTTHRBALOX5APFEN1
SCHEMBL28812156 0.81 MAPT (0.48) KDM4EMAPTTHRBALOX5APFEN1
SCHEMBL15175760 0.80 GPR119 (0.54) KDM4EMAPTTHRBALOX5APFEN1

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
CN-111527078-B Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2023-06-02 CN disclosed