SCHEMBL7076776

SCHEMBL7076776

[2H]c1c([2H])c([2H])c(-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2ccc(C([2H])([2H])Br)cc2)c1[2H]

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
AGT P01019 2/20 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
SCHEMBL7080883 0.82 AGTR1 (0.41) AGTR1AGTR2AGT
SCHEMBL29404889 0.80 AGTR1 (0.50) AGTR1AGTR2AGT
SCHEMBL796 0.80 AGTR1 (0.50) AGTR1AGTR2AGT
SCHEMBL8907583 0.78 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL30316147 0.76 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL9024777 0.76 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL7196989 0.76 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7384556 0.75 AGTR1 (0.42) AGTR1AGTR2AGT
SCHEMBL8246839 0.75 AGTR1 (0.50) AGTR1AGTR2AGT
SCHEMBL4246354 0.75 AGTR1 (0.50) AGTR1AGTR2AGT

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-2003066565-A1 DEUTERATED BIPHENYL DERIVATIVES TURICUM DRUG DEVELOPMENT AG (CH) 2003-08-14 WO claimed
WO-2003066565-A1 DEUTERATED BIPHENYL DERIVATIVES TURICUM DRUG DEVELOPMENT AG (CH) 2003-08-14 WO disclosed