SCHEMBL25973643

SCHEMBL25973643

Cn1c(=O)[nH]c2cccc([C@H]3C[C@H](CN4CCN(C(=O)OC(C)(C)C)CC4)C3)c21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CCR5 P51681 2/20 0.40
TERT O14746 1/20 0.39
VCP P55072 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PARP1 P09874 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
EPHX2 P34913 5/20 0.38
ALDH1A1 P00352 1/20 0.37
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL25337204 0.86 KDM4E (0.40) CCR5KDM4EPARP1PDE10A
SCHEMBL25338184 0.86 KDM4E (0.40) CCR5KDM4EPARP1PDE10A
SCHEMBL25340117 0.86 KDM4E (0.40) CCR5KDM4EPARP1PDE10A
SCHEMBL8802407 0.84 THRB (0.48) CCR5KDM4EPARP1ALDH1A1PDE10A
SCHEMBL25973876 0.84 CCR5 (0.40) CCR5TERTVCPPARP1CHRM2
SCHEMBL25338364 0.84 CCR5 (0.40) CCR5TERTVCPPARP1CHRM2
SCHEMBL26766523 0.84 CCR5 (0.41) CCR5TERTVCPPARP1CHRM2
SCHEMBL25340159 0.84 CCR5 (0.41) CCR5TERTVCPPARP1CHRM2
SCHEMBL25339692 0.82 KDM4E (0.50) CCR5KDM4EPARP1PDE10A
SCHEMBL31701791 0.81 DRD2 (0.44) CNR1CCR5VCPKDM4E

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-2023147594-A2 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed