SCHEMBL23123147

SCHEMBL23123147

O=C1CCN(c2cc(C(=O)N3CCC(O[C@@H]4CCN(C(=O)O)C[C@H]4F)CC3)ccc2Cl)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.37
▸ MGLL Q99685 6/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HRH1 P35367 1/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL23134799 0.89 CRBN (0.36) HSD11B1DDB1CRBN
SCHEMBL29720863 0.89 CRBN (0.36) HSD11B1DDB1CRBN
SCHEMBL23121109 0.88 MGLL (0.40) HSD11B1MGLLTSHRHRH1CCR3
SCHEMBL23122387 0.88 NR3C1 (0.38) HSD11B1CRBNNPSR1
SCHEMBL30008961 0.86 HSD11B1 (0.37) HSD11B1MGLLTSHRDDB1CRBN
SCHEMBL23122009 0.86 HSD11B1 (0.37) HSD11B1MGLLTSHRDDB1CRBN
SCHEMBL23123241 0.84 DDB1 (0.40) HSD11B1MGLLTSHRDDB1CRBN
Trifluoroacetic Acid SCHEMBL30009822 0.84 HSD11B1 (0.35) HSD11B1MGLLTSHRDDR1
SCHEMBL31255252 0.82 MAPT (0.43) HSD11B1MGLLTSHRHRH1CCR3
SCHEMBL23120508 0.82 MGLL (0.39) HSD11B1MGLLTSHRHRH1CCR3

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
CN-114641473-A BRD9 bifunctional degradation agent and use method thereof 诺华股份有限公司 2022-06-17 — — CN disclosed
WO-2021055295-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-03-25 — — WO disclosed
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