SCHEMBL24744489

SCHEMBL24744489

CCCN1CCN(C(=O)CC)CC12CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
ALDH1A1 P00352 1/20 0.41
BLM P54132 1/20 0.35
BDKRB2 P30411 1/20 0.33
LMNA P02545 1/20 0.33
CHRNB2 P17787 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
DRD3 P35462 1/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA7 P36544 2/20 0.32
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRL1 P41146 2/20 0.31
EPHX2 P34913 2/20 0.30
MAPK1 P28482 1/20 0.30
CXCR3 P49682 1/20 0.30

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
SCHEMBL12788695 0.81 POLB (0.46) OPRM1BDKRB2KMT2AOPRL1
SCHEMBL13472125 0.77 LMNA (0.38) ALDH1A1LMNAKMT2A
SCHEMBL27189620 0.75 CYP1A2 (0.31) BDKRB2
SCHEMBL24154170 0.72 BDKRB2 (0.32) OPRM1BDKRB2
SCHEMBL24772843 0.71 HTR1A (0.44) OPRM1
SCHEMBL24773504 0.69 OPRM1 (0.31) OPRM1
SCHEMBL24500534 0.69 DRD3 (0.51) ALDH1A1BLMCHRNB2CHRNA3CHRNA4
SCHEMBL16621834 0.69 ALDH1A1 (0.55) OPRM1ALDH1A1BLMLMNACHRNB2
SCHEMBL21765702 0.69 OPRM1 (0.53) OPRM1ALDH1A1BLMLMNACHRNB2
SCHEMBL20756575 0.69 BLM (0.57) ALDH1A1BLMLMNACHRNB2CHRNA3

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
WO-2022255888-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 WO disclosed
WO-2022253713-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 WO disclosed