SCHEMBL29132254

SCHEMBL29132254

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
GPR119 Q8TDV5 5/20 0.34
BACE1 P56817 1/20 0.34
KDM1A O60341 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
NR1H2 P55055 1/20 0.32
USP1 O94782 1/20 0.32
EPHX2 P34913 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32
GLS O94925 1/20 0.32

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
SCHEMBL29132308 0.89 KDM4E (0.35) KDM4EPKMGPR119BACE1DDB1
SCHEMBL29132160 0.87 EPHX2 (0.37) GPR119DDB1CRBNNR1H2USP1
SCHEMBL29927199 0.86 PDK1 (0.45) KDM4EPKMGPR119KDM1A
SCHEMBL26926046 0.85 KDM4E (0.45) KDM4EPKMGPR119BACE1NR1H2
SCHEMBL26926054 0.85 KDM4E (0.45) KDM4EPKMGPR119BACE1NR1H2
SCHEMBL26926233 0.85 KDM4E (0.45) KDM4EPKMGPR119BACE1NR1H2
SCHEMBL29132136 0.82 PRKCB (0.34)
SCHEMBL29132221 0.81 EPHX2 (0.36) GPR119DDB1CRBNNR1H2EPHX2
SCHEMBL29132076 0.79 NR1H2 (0.45) KDM4EPKMGPR119NR1H2EPHX2
SCHEMBL29132073 0.79 NR1H2 (0.45) KDM4EPKMGPR119NR1H2EPHX2

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