SCHEMBL30139721

SCHEMBL30139721

O=C1CC[C@@H](N2C(=O)c3ccc(N4CCCC4)cc3C2=O)C(=O)N1

nearest known ligand 0.95

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 17/20 0.95
DDB1 Q16531 11/20 0.67
ALDH1A1 P00352 1/20 0.66
CHRM2 P08172 1/20 0.66
OPRM1 P35372 1/20 0.66
IKZF3 Q9UKT9 1/20 0.66
CYP1A2 P05177 1/20 0.66
TSHR P16473 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
IKZF1 Q13422 2/20 0.56
IKZF2 Q9UKS7 2/20 0.56

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
SCHEMBL30798398 1.00 CRBN (0.95) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30139774 1.00 CRBN (0.95) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21946744 1.00 CRBN (0.95) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21946754 0.99 CRBN (0.93) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21946896 0.99 CRBN (0.93) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL24926143 0.99 CRBN (0.93) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30066311 0.99 CRBN (0.93) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21946755 0.99 CRBN (0.93) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL25170816 0.97 CRBN (1.00) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30161018 0.93 CRBN (0.86) CRBNDDB1ALDH1A1CHRM2OPRM1

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
WO-2022270994-A1 NOVEL BIFUNCTIONAL HETEROCYCLIC COMPOUND HAVING BTK DEGRADATION FUNCTION VIA UBIQUITIN PROTEASOME PATHWAY, AND USE THEREOF 한국화학연구원 2022-12-29 WO disclosed