SCHEMBL30712012

SCHEMBL30712012

c1ccc(C2CN(c3cc(NC4CCOCC4)c4c(n3)CCS4)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.65
NAPEPLD Q6IQ20 3/20 0.35
BRD4 O60885 1/20 0.33
PIK3CA P42336 3/20 0.33
PDE10A Q9Y233 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
PDE9A O76083 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
SCD O00767 1/20 0.31
SCD5 Q86SK9 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL21062069 1.00 PDE4D (0.65) PDE4DNAPEPLDBRD4PIK3CAPDE10A
SCHEMBL21061347 0.81 PDE4D (0.46) PDE4DNAPEPLDPIK3CAPDE10AALDH1A1
SCHEMBL23088619 0.78 PDE4D (0.62) PDE4DNAPEPLDBRD4PIK3CAPDE10A
SCHEMBL23088621 0.78 PDE4D (0.62) PDE4DNAPEPLDBRD4PIK3CAPDE10A
SCHEMBL30712004 0.78 PDE4D (0.62) PDE4DNAPEPLDBRD4PIK3CAPDE10A
SCHEMBL21062072 0.76 PDE4D (0.39) PDE4DPDE10AALDH1A1TSHRMAPK1
SCHEMBL30712011 0.76 PDE4D (0.39) PDE4DPDE10AALDH1A1TSHRMAPK1
SCHEMBL23088624 0.69 PDE4D (0.64) PDE4DPDE10AALDH1A1MAPK1HRH4
SCHEMBL23088623 0.69 PDE4D (0.64) PDE4DPDE10AALDH1A1MAPK1HRH4
SCHEMBL30712005 0.69 PDE4D (0.64) PDE4DPDE10AALDH1A1MAPK1HRH4

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