SCHEMBL9873792

SCHEMBL9873792

Cc1nc2c(C(C)C)nnc(O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.37
AGTR2 P50052 4/20 0.37
PPARG P37231 4/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL9873384 0.93 AGTR1 (0.39) AGTR1AGTR2PPARGKCNH2
SCHEMBL9874669 0.91 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9874357 0.91 PPARG (0.35) AGTR1PPARGKCNH2
SCHEMBL9873895 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9871600 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9874151 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9873762 0.87 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9871672 0.87 PPARG (0.35) AGTR1AGTR2PPARGKCNH2
SCHEMBL9872023 0.87 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9871582 0.87 AGTR1 (0.35) AGTR1AGTR2PPARG

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