SCHEMBL29201718

SCHEMBL29201718

CC(C)(C)OC(=O)N1CCC(O)(COCCC2CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.48
YAP1 P46937 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.47
GRIN2B Q13224 4/20 0.46
STS P08842 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
FAAH O00519 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
KDM1A O60341 1/20 0.44

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
SCHEMBL23783162 0.89 SMN1; SMN2 (0.52) CHRM4SMN1; SMN2NPC1RAB9AHTT
SCHEMBL29201722 0.89 SMN1; SMN2 (0.49) CHRM4SMN1; SMN2NPC1RAB9AHTT
SCHEMBL28978001 0.88 SMN1; SMN2 (0.45) CHRM4SMN1; SMN2NPC1RAB9AHTT
SCHEMBL25307550 0.88 SMN1; SMN2 (0.53) CHRM4SMN1; SMN2NPC1RAB9AHTT
SCHEMBL31677181 0.88 CHRM4 (0.52) CHRM4SMN1; SMN2NPC1RAB9AHTT
SCHEMBL27151420 0.87 SMN1; SMN2 (0.54) CHRM4SMN1; SMN2NPC1RAB9AHTT
SCHEMBL27140967 0.87 SMN1; SMN2 (0.54) CHRM4SMN1; SMN2NPC1RAB9AHTT
SCHEMBL28978044 0.86 SMN1; SMN2 (0.54) CHRM4SMN1; SMN2NPC1RAB9AHTT
SCHEMBL30872312 0.85 SMN1; SMN2 (0.52) CHRM4SMN1; SMN2NPC1RAB9AHTT
SCHEMBL3251863 0.84 KDM4E (0.58) CHRM4SMN1; SMN2YAP1KDM4EPKM

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-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