SCHEMBL21409284

SCHEMBL21409284

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

nearest known ligand 0.42

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
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD11B1 P28845 5/20 0.41
▸ TLR7 Q9NYK1 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ PDE4B Q07343 1/20 0.38

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
SCHEMBL23134536 0.92 NR3C1 (0.42) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL31255390 0.92 GAA (0.44) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL21409448 0.91 HSD11B1 (0.42) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL30501253 0.91 NR3C1 (0.49) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL30008988 0.91 HSD11B1 (0.41) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL23122705 0.91 HSD11B1 (0.41) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL31255475 0.90 ALDH1A1 (0.42) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL23122387 0.89 NR3C1 (0.38) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL21409416 0.89 MEN1 (0.49) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL30963364 0.89 KDM4E (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936498-B N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2024-04-16 — — CN disclosed
CN-114641473-A BRD9 bifunctional degradation agent and use method thereof 诺华股份有限公司 2022-06-17 — — CN disclosed
EP-3774804-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES Novartis AG (CH) 2021-02-17 — — EP disclosed
CN-111936498-A N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2020-11-13 — — CN disclosed
WO-2019186343-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES NOVARTIS AG (CH) 2019-10-03 — — WO disclosed
Send feedback