SCHEMBL28809774

SCHEMBL28809774

CC1(C)CCC(n2ccc(Cl)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 1/20 0.32
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL25425019 0.82 — —
SCHEMBL28810662 0.79 CPB1 (0.32) CPB1
SCHEMBL28811494 0.77 CNR2 (0.31) CPB1
SCHEMBL28809728 0.77 ESR2 (0.32) CPB1
SCHEMBL28809769 0.77 MEN1 (0.36) DRD2DRD4DRD3
SCHEMBL28810413 0.76 CDK5 (0.33) CPB1
SCHEMBL28810610 0.75 MCHR1 (0.35) CPB1
SCHEMBL28810657 0.75 SPR (0.34) CPB1
SCHEMBL28810753 0.69 CXCR3 (0.41) —
SCHEMBL28809785 0.68 OPRL1 (0.34) DRD2DRD4DRD3

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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