SCHEMBL27269359

SCHEMBL27269359

CC[C@H](C)C(=O)N1CCC2(CC1)CN(CCC(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.40
TSHR P16473 3/20 0.39
USP2 O75604 6/20 0.38
CYP1A2 P05177 4/20 0.38
HIF1A Q16665 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 3/20 0.38
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 7/20 0.36
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL27269749 0.92 CYP2D6 (0.39) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL22856411 0.87 CYP2D6 (0.43) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL25603399 0.85 CYP2D6 (0.54) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL23560350 0.82 CYP2D6 (0.42) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL24508736 0.82 PIK3CD (0.46) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL23945821 0.82 EPHX2 (0.34) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL23568464 0.80 OPRM1 (0.41) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL22790690 0.78 CYP2D6 (0.41) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL23945341 0.78 CYP2D6 (0.36) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL25833173 0.77 USP2 (0.34) CYP2D6TSHRUSP2CYP1A2HIF1A

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
EP-4393922-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-07-03 EP disclosed