SCHEMBL19370693

SCHEMBL19370693

O=C1CC[C@@H](N2CCc3ccc(Cl)cc3C2)C(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 19/20 0.57
DDB1 Q16531 5/20 0.45
ALDH1A1 P00352 1/20 0.42
CHRM2 P08172 1/20 0.42
OPRM1 P35372 1/20 0.42
IKZF3 Q9UKT9 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL29923068 1.00 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL19359504 1.00 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL19359398 0.87 CRBN (0.59) CRBNDDB1
SCHEMBL19370770 0.87 CRBN (0.59) CRBNDDB1
SCHEMBL29923396 0.87 CRBN (0.59) CRBNDDB1
SCHEMBL29923644 0.82 CRBN (0.83) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL19359391 0.82 CRBN (0.83) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL19359468 0.82 CRBN (0.60) CRBNDDB1
SCHEMBL19370894 0.81 CRBN (0.57) CRBNDDB1
SCHEMBL19359476 0.81 CRBN (0.57) CRBNDDB1

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-2017161119-A1 SMALL MOLECULES AGAINST CEREBLON TO ENHANCE EFFECTOR T CELL FUNCTION H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2017-09-21 WO disclosed