SCHEMBL30439660

SCHEMBL30439660

CC(C)(C)OC(=O)N1C2CCC1CC(c1ccc(N)nn1)C2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
TRPC6 Q9Y210 7/20 0.47
EIF2AK4 Q9P2K8 1/20 0.43
PREP P48147 3/20 0.42
HSD11B1 P28845 1/20 0.41
HDAC1 Q13547 1/20 0.41
GPR119 Q8TDV5 4/20 0.40
KAT2B Q92831 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL21045678 1.00 CHRM2 (0.51) CHRM2CHRM1CHRM3TRPC6EIF2AK4
SCHEMBL26133835 0.85 CHRM2 (0.51) CHRM2CHRM1CHRM3EIF2AK4PREP
SCHEMBL29656871 0.82 CHRM2 (0.50) CHRM2CHRM1CHRM3EIF2AK4PREP
SCHEMBL22367044 0.80 TRPC6 (0.48) TRPC6
SCHEMBL15174527 0.80 TRPC6 (0.58) TRPC6GPR119
SCHEMBL30439726 0.80 TRPC6 (0.58) TRPC6GPR119
SCHEMBL22471554 0.80 CHRM2 (0.56) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL15378924 0.80 CHRM2 (0.56) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL18352270 0.78 TRPC6 (0.53) TRPC6
SCHEMBL12425428 0.78 HDAC1 (0.55) CHRM2CHRM1CHRM3PREPHSD11B1

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