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Sugi Predict / Compounds / SCHEMBL9873400

SCHEMBL9873400

SCHEMBL9873400

CC(C)(C)Cc1nc2c(OC(=O)c3ccccc3)nnc(OC(=O)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 7/20 0.38
▸ AGTR2 P50052 7/20 0.38

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
SCHEMBL9873960 0.95 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9874520 0.91 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9872057 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9874159 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9874176 0.87 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9872686 0.86 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9872102 0.86 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9872247 0.86 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9871876 0.85 PPARG (0.46) —
SCHEMBL9872108 0.85 AGTR1 (0.36) 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