SCHEMBL9707785

SCHEMBL9707785

C=C(C)c1nc2[nH]c(=S)n(C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.34
AGTR1 P30556 3/20 0.33
AGTR2 P50052 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL9708193 0.92 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL9707876 0.92 GPR18 (0.38) AGTR1AGTR2
SCHEMBL9708535 0.84 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9707907 0.84 GPR18 (0.37) AGTR1AGTR2
SCHEMBL9708086 0.83 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9707466 0.82 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9708115 0.82 KMT2A (0.42) AGTR1AGTR2PPARG
SCHEMBL9708027 0.80 MAPT (0.42)
SCHEMBL9707666 0.79 ADORA3 (0.42)
SCHEMBL9707790 0.79 AGTR1 (0.38) 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 2 patents. 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 claimed
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed