SCHEMBL7423441

SCHEMBL7423441

CCCCc1nc2cccc(C)c2c(=O)n1Cc1ccc(C(=O)OC2CC=CC2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
AGTR1 P30556 3/20 0.35
AGTR2 P50052 3/20 0.35
PPARG P37231 1/20 0.34
PIK3CD O00329 1/20 0.34
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HCRTR1 O43613 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL244242 0.76 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7423304 0.76 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7421353 0.74 PPARG (0.43) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL244243 0.74 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7470019 0.73 AGTR1 (0.40) AGTR1
SCHEMBL28826515 0.67 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL7422046 0.65 AGTR1 (0.41) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL245599 0.65 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL28451245 0.65 PIK3CD (0.50) PDE4APDE4BPDE4CPDE4DPIK3CD
SCHEMBL245600 0.63 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-5789415-A Azacyclic-heterocyclic compounds as angiotension II receptor antagonists PFIZER INC. (US) 1998-08-04 US disclosed
WO-1995002596-A1 AZACYCLIC-HETEROCYCLIC COMPOUNDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-01-26 WO disclosed