SCHEMBL28809728

SCHEMBL28809728

CC1(C)CCC(n2ccc(C3CC3)c2)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.32
▸ CPB1 P15086 1/20 0.31
▸ SLC18A3 Q16572 1/20 0.31

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
SCHEMBL28810408 0.78 SLC18A3 (0.46) ESR2SLC18A3
SCHEMBL28809774 0.77 CPB1 (0.32) CPB1
SCHEMBL28810662 0.77 CPB1 (0.32) CPB1
SCHEMBL28811494 0.76 CNR2 (0.31) CPB1
SCHEMBL28810413 0.75 CDK5 (0.33) CPB1
SCHEMBL28810610 0.73 MCHR1 (0.35) CPB1
SCHEMBL28810657 0.73 SPR (0.34) CPB1
SCHEMBL28811463 0.66 — —
SCHEMBL3231007 0.64 ESR2 (0.44) ESR2SLC18A3
SCHEMBL20897081 0.61 CPB1 (0.38) CPB1

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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