SCHEMBL29132136

SCHEMBL29132136

C[C@H]1CN(C(=O)O)CCN1CC1CCN(CC2(F)CCNCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 1/20 0.34
PARP1 P09874 2/20 0.33
PARP2 Q9UGN5 2/20 0.33
CACNA2D1 P54289 1/20 0.30
CACNA1B Q00975 1/20 0.30
CACNB1 Q02641 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
SCHEMBL29132233 0.85 CHRM1 (0.33)
SCHEMBL29928031 0.82 PDK1 (0.43) PARP1PARP2
SCHEMBL29132254 0.82 KDM4E (0.35)
SCHEMBL26924288 0.81 CACNA2D1 (0.40) PRKCBPARP1PARP2CACNA2D1CACNA1B
SCHEMBL26924284 0.81 CACNA2D1 (0.40) PRKCBPARP1PARP2CACNA2D1CACNA1B
SCHEMBL26924970 0.81 CACNA2D1 (0.40) PRKCBPARP1PARP2CACNA2D1CACNA1B
SCHEMBL23860101 0.78 DRD3 (0.33)
SCHEMBL28721333 0.77 CHRM1 (0.38) PRKCBPARP1PARP2
SCHEMBL28721334 0.77 CHRM1 (0.38) PRKCBPARP1PARP2
SCHEMBL28724285 0.77 CHRM1 (0.38) PRKCBPARP1PARP2

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-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 CN disclosed