SCHEMBL23122387

SCHEMBL23122387

COc1ccc(C(=O)N2CCC(O[C@@H]3CCN(C(=O)O)C[C@H]3F)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ HSD11B1 P28845 6/20 0.37
▸ LMNA P02545 1/20 0.36
▸ SOS1 Q07889 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MLKL Q8NB16 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL23134748 0.90 PDE4B (0.40) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL21409284 0.89 NR3C1 (0.42) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL23123147 0.88 HSD11B1 (0.37) HSD11B1CRBNNPSR1
SCHEMBL23121734 0.87 HSD11B1 (0.38) NR3C1PGRSLC6A4KCNH2PDE3B
Trifluoroacetic Acid SCHEMBL30009630 0.84 PKM (0.40) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL23134536 0.83 NR3C1 (0.42) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL23123241 0.83 DDB1 (0.40) HSD11B1LMNAALDH1A1CRBNMEN1
SCHEMBL31255390 0.83 GAA (0.44) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL21409448 0.83 HSD11B1 (0.42) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL30501253 0.82 NR3C1 (0.49) NR3C1PGRSLC6A4KCNH2PDE3B

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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