SCHEMBL9874419

SCHEMBL9874419

COCOc1nnc(O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.54
AGTR2 P50052 1/20 0.54
BRS3 P32247 1/20 0.42
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL9874436 0.94 AGTR1 (0.56) AGTR1AGTR2BRS3TLR7
SCHEMBL9873767 0.92 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9872907 0.91 AGTR1 (0.53) AGTR1AGTR2BRS3
SCHEMBL9872154 0.89 AGTR1 (0.53) AGTR1AGTR2BRS3
SCHEMBL9873366 0.89 AGTR1 (0.53) AGTR1AGTR2BRS3
SCHEMBL9874384 0.88 AGTR1 (0.59) AGTR1AGTR2BRS3
SCHEMBL9871093 0.88 AGTR1 (0.51) AGTR1AGTR2BRS3
SCHEMBL9875189 0.88 AGTR1 (0.53) AGTR1AGTR2BRS3
SCHEMBL9873730 0.88 AGTR1 (0.52) AGTR1AGTR2BRS3
SCHEMBL9871810 0.87 AGTR1 (0.51) AGTR1AGTR2BRS3

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
WO-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed