SCHEMBL28809727

SCHEMBL28809727

Cc1c(F)ccn1C1CCC(C)(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.31
▸ TOP2A P11388 3/20 0.31
▸ TOP2B Q02880 3/20 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
SCHEMBL18804533 0.62 ALDH1A1 (0.33) —
SCHEMBL21479477 0.57 — —
SCHEMBL2429586 0.54 OPRL1 (0.36) —
SCHEMBL23169287 0.53 — —
SCHEMBL20844226 0.53 NOTUM (0.30) —
SCHEMBL11885654 0.52 AOC3 (0.39) DHODHTOP2ATOP2B
SCHEMBL12774192 0.52 HRH3 (0.37) —
SCHEMBL31437974 0.51 HTR1A (0.35) TOP2ATOP2B
SCHEMBL4825714 0.50 HTR6 (0.41) —
SCHEMBL18459032 0.50 HRH3 (0.36) —

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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