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Sugi Predict / Compounds / SCHEMBL9707810

SCHEMBL9707810

SCHEMBL9707810

CCc1nc2c(c(=O)n(C(C)c3ccccc3)c(=O)n2C(C)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 5/20 0.41
▸ AGTR2 P50052 5/20 0.41

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
SCHEMBL9708550 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9708272 0.94 TSHR (0.42) AGTR1AGTR2
SCHEMBL9708264 0.94 TSHR (0.42) AGTR1AGTR2
SCHEMBL9707623 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9708059 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9708726 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9708225 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9708199 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9708375 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9707430 0.92 AGTR1 (0.47) 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-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 — — WO disclosed