SCHEMBL29003441

SCHEMBL29003441

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Oc2cc(Br)cc3c2cnn3C2CCCCO2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNB4 O00305 1/20 0.37
▸ CACNA1A O00555 1/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNG3 O60359 1/20 0.37
▸ CACNA1F O60840 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNB3 P54284 1/20 0.37
▸ CACNA2D1 P54289 1/20 0.37
▸ CACNG7 P62955 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ CACNA1D Q01668 1/20 0.37
▸ CACNB1 Q02641 1/20 0.37
▸ CACNG1 Q06432 1/20 0.37
▸ CACNB2 Q08289 1/20 0.37
▸ CACNA1S Q13698 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ CACNA1E Q15878 1/20 0.37
▸ CACNA2D4 Q7Z3S7 1/20 0.37
▸ CACNA2D3 Q8IZS8 1/20 0.37
▸ CACNG8 Q8WXS5 1/20 0.37

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
SCHEMBL29003157 1.00 CACNB4 (0.37) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL29003158 1.00 CACNB4 (0.37) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL29003218 0.95 PIK3CD (0.38) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL29003175 0.93 PIK3CD (0.36) ATRPDE4BRXRARXRBRXRG
SCHEMBL29003183 0.93 PIK3CD (0.36) ATRPDE4BRXRARXRBRXRG
SCHEMBL29003273 0.93 PIK3CD (0.36) ATRPDE4BRXRARXRBRXRG
SCHEMBL29470589 0.87 RXRA (0.39) RXRARXRBRXRGPIK3CD
SCHEMBL29003256 0.86 CACNB4 (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL29003238 0.86 CACNB4 (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL29003324 0.86 CACNB4 (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157388-A Carbocyclic amide derivative and application thereof in medicine 四川海思科制药有限公司 2023-05-23 — — CN disclosed
WO-2022053000-A1 CARBOCYCLIC AMIDE DERIVATIVE AND APPLICATION THEREOF IN MEDICINE 四川海思科制药有限公司 2022-03-17 — — WO disclosed
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