SCHEMBL30712014

SCHEMBL30712014

[O-][S+]1CCc2nc(N3CC(c4ccccc4)C3)cc(Cl)c21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.38
PDE10A Q9Y233 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL21062063 1.00 PDE4D (0.38) PDE4DPDE10ANPC1CYP1A2MAPT
SCHEMBL30712009 0.88 PDE4D (0.40) PDE4D
SCHEMBL23088650 0.88 PDE4D (0.40) PDE4D
SCHEMBL23088619 0.77 PDE4D (0.62) PDE4DPDE10A
SCHEMBL30712004 0.77 PDE4D (0.62) PDE4DPDE10A
SCHEMBL23088621 0.77 PDE4D (0.62) PDE4DPDE10A
SCHEMBL23088633 0.74 DRD2 (0.32)
SCHEMBL30712010 0.74 DRD2 (0.32)
SCHEMBL23098518 0.74 PDE4D (0.43) PDE4D
SCHEMBL21062072 0.73 PDE4D (0.39) PDE4DPDE10ANPC1CYP1A2MAPT

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
CN-111727191-B Substituted azetidine dihydro-thienopyridines and their use as phosphodiesterase inhibitors 联合疗法公司 2024-01-05 CN disclosed