SCHEMBL9390232

SCHEMBL9390232

CCCCc1nc(-c2cc(C)cc[n+]2[O-])cn1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.CCCCc1nc(-c2cc[n+]([O-])cc2)cn1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGT P01019 2/20 0.44
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44

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
SCHEMBL9025518 0.96 AGTR1 (0.47) AGTAGTR1AGTR2
SCHEMBL9024917 0.92 AGTR1 (0.49) AGTAGTR1AGTR2
SCHEMBL9271110 0.90 AGT (0.41) AGTAGTR1AGTR2
SCHEMBL9025042 0.89 AGTR1 (0.49) AGTAGTR1AGTR2
SCHEMBL9276162 0.87 AGTR1 (0.43) AGTAGTR1AGTR2
SCHEMBL9025388 0.86 AGTR1 (0.47) AGTAGTR1AGTR2
SCHEMBL9024729 0.84 AGTR1 (0.49) AGTAGTR1AGTR2
SCHEMBL9025667 0.84 AGTR1 (0.49) AGTAGTR1AGTR2
SCHEMBL9275390 0.84 AGTR1 (0.42) AGTAGTR1AGTR2
SCHEMBL9025914 0.82 AGTR1 (0.51) AGTAGTR1AGTR2

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-1994003449-A1 IMIDAZOLE DERIVATIVES HAVING A II ANTAGONIST ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1994-02-17 WO disclosed