SCHEMBL23134536

SCHEMBL23134536

COc1ccc(C(=O)N2CCC(OC3CCN(C(C)=O)CC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TLR8 Q9NR97 2/20 0.41
▸ TLR7 Q9NYK1 2/20 0.41
▸ HSD11B1 P28845 3/20 0.41
▸ POLB P06746 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL21409284 0.92 NR3C1 (0.42) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL21409448 0.91 HSD11B1 (0.42) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL30008988 0.91 HSD11B1 (0.41) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL23122705 0.91 HSD11B1 (0.41) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL31255390 0.90 GAA (0.44) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL23134692 0.88 PARP1 (0.42) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL21409304 0.88 PDE4B (0.47) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL23134686 0.88 NR3C1 (0.40) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL31255475 0.88 ALDH1A1 (0.42) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL30009045 0.88 PDE4B (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021055295-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-03-25 — — WO disclosed
Send feedback