SCHEMBL7080883

SCHEMBL7080883

[2H]c1c([2H])c([2H])c(-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2ccc(C([2H])([2H])[2H])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 1/20 0.34

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
SCHEMBL7076776 0.82 AGTR1 (0.41) AGTR1AGTR2AGT
SCHEMBL635 0.81 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL30956037 0.81 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL9235857 0.77 MEN1 (0.42) AGTR1AGTR2
SCHEMBL7392888 0.76 AGTR1 (0.43) AGTR1AGTR2AGT
SCHEMBL9025603 0.76 MEN1 (0.41) AGTR1AGTR2
SCHEMBL2053236 0.75 AGTR1 (0.44) AGTR1AGTR2AGT
SCHEMBL8698703 0.75 AGTR1 (0.47) AGTR1AGTR2AGT
SCHEMBL31214399 0.75 AGTR1 (0.42) AGTR1AGTR2AGT
SCHEMBL7078741 0.74 PTGS2 (0.31)

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