SCHEMBL28810657

SCHEMBL28810657

CC1(C)CCC(n2ccc(C#N)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.34
▸ TRPC3 Q13507 1/20 0.33
▸ TRPC6 Q9Y210 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ USP14 P54578 1/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CPB1 P15086 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL28810759 0.80 HRH3 (0.42) SPRTRPC3TRPC6ALDH1A1
SCHEMBL28810662 0.75 CPB1 (0.32) CPB1
SCHEMBL28809774 0.75 CPB1 (0.32) CPB1
SCHEMBL28809728 0.73 ESR2 (0.32) CPB1
SCHEMBL28811494 0.73 CNR2 (0.31) CPB1
SCHEMBL28810413 0.72 CDK5 (0.33) ALDH1A1CPB1
SCHEMBL28810610 0.71 MCHR1 (0.35) CPB1
SCHEMBL28800298 0.64 TRPC3 (0.35) TRPC3TRPC6POLBALDH1A1
SCHEMBL28811463 0.63 — —
SCHEMBL1780017 0.60 — —

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-114746090-A Azaindole carboxamide compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 — — CN disclosed
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