SCHEMBL29201760

SCHEMBL29201760

CC(C)(C)OC(=O)N1CCC(CCOCC2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.60
DRD2 P14416 2/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
CHRM3 P20309 1/20 0.50
DRD4 P21917 1/20 0.50

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
SCHEMBL27151420 0.87 SMN1; SMN2 (0.54) CHRM4KDM4EPKM
SCHEMBL27140967 0.87 SMN1; SMN2 (0.54) CHRM4KDM4EPKM
SCHEMBL8478310 0.86 GPR119 (0.57) CHRM4KDM4EPKMCHRM3
SCHEMBL8474293 0.84 KDM4E (0.56) CHRM4KDM4EPKM
SCHEMBL27271703 0.84 KDM4E (0.56) KDM4EPKM
SCHEMBL3251863 0.84 KDM4E (0.58) CHRM4KDM4EPKM
SCHEMBL35211912 0.84 KDM4E (0.55) KDM4EPKM
SCHEMBL18497603 0.83 KDM4E (0.57) CHRM4KDM4EPKM
SCHEMBL5717213 0.83 KDM4E (0.59) KDM4EPKM
SCHEMBL3406000 0.83 CHRM4 (0.54) CHRM4KDM4EPKM

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-117917410-A Pan-KRAS degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed