SCHEMBL28810622

SCHEMBL28810622

CC1(C)CCC(n2ccc(F)c2Cl)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.32
▸ DHODH Q02127 2/20 0.31
▸ OPRL1 P41146 1/20 0.30
▸ TOP2A P11388 1/20 0.30
▸ TOP2B Q02880 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
SCHEMBL28810629 0.83 DHODH (0.32) DHODH
SCHEMBL28809727 0.81 DHODH (0.31) DHODHTOP2ATOP2B
SCHEMBL28810746 0.72 DHODH (0.32) DHODHOPRL1
SCHEMBL28809785 0.72 OPRL1 (0.34) DHODHOPRL1
SCHEMBL29721855 0.71 PIP4K2A (0.31) TOP2ATOP2B
SCHEMBL28810670 0.67 DHODH (0.33) DHODHOPRL1
SCHEMBL28809774 0.66 CPB1 (0.32) —
SCHEMBL28809781 0.63 ABCB1 (0.31) DHODHOPRL1
SCHEMBL28809728 0.61 ESR2 (0.32) —
SCHEMBL28637340 0.56 ALDH1A1 (0.32) LMNAOPRL1

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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