SCHEMBL25518501

SCHEMBL25518501

NCCOCCOCCOCCOCCOc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 14/20 0.60
DDB1 Q16531 11/20 0.60
ALDH1A1 P00352 1/20 0.55
CHRM2 P08172 1/20 0.55
OPRM1 P35372 1/20 0.55
IKZF3 Q9UKT9 1/20 0.55
CYP1A2 P05177 1/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 3/20 0.53
LRRK2 Q5S007 1/20 0.50
IRAK4 Q9NWZ3 1/20 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
SCHEMBL23267590 1.00 CRBN (0.60) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22276613 1.00 CRBN (0.60) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29617032 0.93 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23705654 0.93 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23705698 0.91 CRBN (0.52) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29336480 0.90 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL25159874 0.89 CRBN (0.60) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22266510 0.89 CRBN (0.59) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20985423 0.89 CRBN (0.60) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20294594 0.89 CRBN (0.60) 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-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO disclosed