SCHEMBL29201715

SCHEMBL29201715

CC(C)(C)OC(=O)N1CCN(CCCC2CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
FAAH O00519 1/20 0.53
HTT P42858 1/20 0.53
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
GRIN2B Q13224 3/20 0.50
YAP1 P46937 2/20 0.49
STS P08842 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ACKR3 P25106 1/20 0.48
GPR119 Q8TDV5 2/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL27035707 1.00 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AFAAHHTT
SCHEMBL27140680 0.98 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AFAAHHTT
SCHEMBL22291601 0.95 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AFAAHHTT
SCHEMBL2386800 0.89 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AFAAHHTT
SCHEMBL18921646 0.89 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AFAAHHTT
SCHEMBL29132198 0.89 MEN1 (0.58) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL28868788 0.88 BCHE (0.50) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL21528055 0.87 MEN1 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL30179036 0.86 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL30602886 0.86 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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