SCHEMBL31430232

SCHEMBL31430232

CC1(C)OB(c2ccc3c(c2)C2(CCC2)C(=O)N3)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.46
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
PDE3B Q13370 5/20 0.43
PDE3A Q14432 5/20 0.43
EPHX2 P34913 1/20 0.41
BACE1 P56817 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
SCHEMBL31430278 0.94 PGR (0.44) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL4291778 0.94 PGR (0.44) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL25925116 0.90 BACE1 (0.42) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL31430249 0.87 BACE1 (0.40) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL1222942 0.86 MAPK14 (0.42) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL16437334 0.85 MAPK14 (0.42) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL16427562 0.83 BACE1 (0.38) PGRBACE1
SCHEMBL31116974 0.81 PGR (0.47) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL1224061 0.79 MAPK14 (0.46) EPHX2BACE1
SCHEMBL16442023 0.79 BACE1 (0.42) BACE1

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
WO-2025092818-A1 PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE 康百达(四川)生物医药科技有限公司 2025-05-08 WO disclosed
CN-119462695-A Pyridine derivative and application thereof 康百达(四川)生物医药科技有限公司 2025-02-18 CN disclosed