SCHEMBL9873122

SCHEMBL9873122

Cc1nnc(C)c2c1nc(C(C)C)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.35
AGTR2 P50052 6/20 0.35
USP1 O94782 2/20 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
SCHEMBL9871103 0.89 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9873834 0.86 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9873118 0.86 PPARG (0.35) AGTR1AGTR2
SCHEMBL9872806 0.86 GP6 (0.40) AGTR1AGTR2
SCHEMBL9873445 0.85 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9873778 0.85 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9874719 0.85 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9872894 0.85 USP1 (0.35) AGTR1AGTR2USP1
SCHEMBL9874034 0.85 AGTR2 (0.37) AGTR1AGTR2
SCHEMBL9875029 0.85 AGTR1 (0.38) 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