SCHEMBL25453061

SCHEMBL25453061

Cc1ccc2c(c1)C1(CCCC1)N(C)C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
METAP1 P53582 1/20 0.36
AKR1B1 P15121 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
PARP1 P09874 1/20 0.35
SLC6A2 P23975 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
APP P05067 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL25457843 0.97 HRH3 (0.36) KDM4EHRH3HTTATMMETAP1
SCHEMBL25452836 0.93 METAP1 (0.38) HRH3METAP1AKR1B1CA1CA2
SCHEMBL29813861 0.83 MEN1 (0.39) HRH3METAP1AKR1B1CA1CA2
SCHEMBL26143928 0.83 METAP1 (0.35) KDM4EMETAP1AKR1B1CA1CA2
SCHEMBL20672175 0.80 METAP1 (0.38) KDM4EHRH3HTTATMMETAP1
SCHEMBL25174304 0.79 MEN1 (0.39) HRH3METAP1AKR1B1CA1CA2
SCHEMBL30372231 0.79 MEN1 (0.39) HRH3METAP1AKR1B1CA1CA2
SCHEMBL30620824 0.78 HRH3 (0.52) KDM4EHRH3KMT2AOPRM1POLB
SCHEMBL27445311 0.77 HPGD (0.40) HRH3MAOAMAOBKMT2AOPRM1
SCHEMBL12549140 0.76 CA1 (0.39) KDM4EHTTMETAP1AKR1B1CA1

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
WO-2023081845-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed