SCHEMBL7423304

SCHEMBL7423304

CCCCc1nc2cccc(C)c2c(=O)n1Cc1ccc(C2(C(=O)OCC)CC=CC2)s1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
AGTR1 P30556 3/20 0.35
AGTR2 P50052 3/20 0.35
HIF1A Q16665 1/20 0.34
HTR1A P08908 1/20 0.34

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 0.91 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL244243 0.83 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7418128 0.79 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL7423441 0.76 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7422046 0.76 AGTR1 (0.41) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL7422043 0.74 AGTR1 (0.40) AGTR1
SCHEMBL7415863 0.74 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL7419267 0.73 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL2884118 0.70
SCHEMBL241111 0.69 AGTR2 (0.43) AGTR1AGTR2

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