SCHEMBL29201725

SCHEMBL29201725

COC(=O)C(C)CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
ATM Q13315 1/20 0.54
HDAC4 P56524 1/20 0.54
KCNH2 Q12809 1/20 0.54
HDAC1 Q13547 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.50
HSD17B10 Q99714 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
SCHEMBL5742209 0.83 SMN1; SMN2 (0.57) ATMKCNH2KDM4EALDH1A1MEN1
SCHEMBL5742201 0.83 SMN1; SMN2 (0.57) ATMKCNH2KDM4EALDH1A1MEN1
SCHEMBL22360604 0.78 CYP2D6 (0.56) CYP2D6CYP2C9CYP3A4CYP2C19ATM
SCHEMBL14052244 0.77 ACHE (0.57) CYP2D6CYP2C9TSHR
SCHEMBL10856233 0.77 CHRM2 (0.67) CYP2D6ATMHDAC4KCNH2HDAC1
SCHEMBL10313031 0.77 CYP2D6 (0.55) CYP2D6CYP2C9CYP3A4CYP2C19ATM
SCHEMBL24672242 0.77 KDM4E (0.68) ATMKDM4EALDH1A1MEN1KMT2A
SCHEMBL1394539 0.77 KDM4E (0.68) ATMKDM4EALDH1A1MEN1KMT2A
SCHEMBL21797152 0.77 KDM4E (0.68) ATMKDM4EALDH1A1MEN1KMT2A
SCHEMBL1394535 0.77 KDM4E (0.68) ATMKDM4EALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4631942-A1 PAN-KRAS DEGRADING AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Leadingtac Pharmaceutical (Shaoxing) Co., Ltd. (CN) 2025-10-15 EP disclosed
EP-4606803-A1 KRAS G12D DEGRADATION AGENT, AND PREPARATION METHOD AND USE THEREFOR Leadingtac Pharmaceutical (Shaoxing) Co., Ltd. (CN) 2025-08-27 EP disclosed
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