SCHEMBL9872935

SCHEMBL9872935

CCCCc1nc2c(C=O)nnc(C=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.56
AGTR1 P30556 8/20 0.55
AGTR2 P50052 8/20 0.55

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
SCHEMBL9873126 0.93 GP6 (0.51) GP6AGTR1AGTR2
SCHEMBL8836344 0.88 GP6 (0.56) GP6AGTR1AGTR2
SCHEMBL9873090 0.87 GP6 (0.41) GP6AGTR1AGTR2
SCHEMBL9874627 0.86 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL860 0.86 GP6 (0.72) GP6AGTR1AGTR2
SCHEMBL9873097 0.85 AGTR2 (0.42) GP6AGTR1AGTR2
SCHEMBL9872663 0.85 AGTR1 (0.53) GP6AGTR1AGTR2
SCHEMBL9874104 0.84 TLR7 (0.53) AGTR1AGTR2
SCHEMBL9873526 0.84 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9873623 0.84 AGTR1 (0.52) 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 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