SCHEMBL7417812

SCHEMBL7417812

CCc1cc(OCc2ccc(-c3[nH]c(C)c(CC)c3C#N)cc2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.52
AGTR2 P50052 1/20 0.52

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
SCHEMBL7419501 0.92 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7419130 0.83 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9178138 0.79 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL7417816 0.78 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7415161 0.75 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL4767008 0.73 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9137909 0.71 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL7419131 0.71 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9458643 0.70 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL7417809 0.70 KDM4E (0.36)

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-1993016071-A1 HETEROCYCLIC DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-19 WO disclosed