SCHEMBL7419267

SCHEMBL7419267

CCCc1nc(Cl)c(C=O)n1Cc1ccc(C2(C(=O)OCC)CC=CC2)s1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.37
AGTR2 P50052 4/20 0.37
GP6 Q9HCN6 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL7418128 0.82 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL7415863 0.80 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL7422043 0.78 AGTR1 (0.40) AGTR1
SCHEMBL243577 0.76 AGTR2 (0.37) AGTR1AGTR2
SCHEMBL240032 0.74 OPRM1 (0.39)
SCHEMBL7423304 0.73 PDE4A (0.38) AGTR1AGTR2
SCHEMBL244149 0.72 OPRM1 (0.37)
SCHEMBL9685865 0.71 AGTR1 (0.51) AGTR1AGTR2GP6
SCHEMBL241111 0.71 AGTR2 (0.43) AGTR1AGTR2
SCHEMBL2884118 0.71

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