SCHEMBL28810607

SCHEMBL28810607

CC1(C)CCC(n2cccc2C(F)(F)F)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.32
▸ IDO1 P14902 1/20 0.30
▸ TDO2 P48775 1/20 0.30
▸ HDAC4 P56524 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
SCHEMBL28810746 0.69 DHODH (0.32) HDAC4
SCHEMBL28810670 0.67 DHODH (0.33) —
SCHEMBL18701933 0.67 SPR (0.45) SPRIDO1
SCHEMBL28809785 0.66 OPRL1 (0.34) SPR
SCHEMBL28809781 0.64 ABCB1 (0.31) —
SCHEMBL28810610 0.62 MCHR1 (0.35) IDO1TDO2
SCHEMBL28810629 0.59 DHODH (0.32) —
SCHEMBL6941198 0.58 TSHR (0.38) —
SCHEMBL28809727 0.58 DHODH (0.31) —
SCHEMBL11163075 0.58 SLC18A3 (0.34) —

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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