SCHEMBL29590399

SCHEMBL29590399

O=C1CCC(N2C(=O)c3ccc(C4CCN(CCCO)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.56
▸ DDB1 Q16531 11/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ IKZF3 Q9UKT9 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ IKZF2 Q9UKS7 2/20 0.49

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
SCHEMBL24288991 1.00 CRBN (0.56) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30619779 0.90 CRBN (0.56) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23860164 0.87 CRBN (0.51) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30144642 0.87 CRBN (0.55) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23860126 0.85 CRBN (0.53) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL26517122 0.84 CRBN (0.68) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL24207009 0.84 CRBN (0.71) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL25647259 0.84 CRBN (0.56) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL26759990 0.83 CRBN (0.62) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL27283076 0.83 CRBN (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225749-A1 COMPOUNDS AND METHODS OF TREATING CANCERS Cullgen (Shanghai), Inc. (CN) 2023-08-16 — — EP disclosed
CN-116583509-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2023-08-11 — — CN disclosed
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 — — WO disclosed
Send feedback