SCHEMBL9210636

SCHEMBL9210636

CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(I)c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.59
▸ AGTR2 P50052 1/20 0.59
▸ GPR4 P46093 2/20 0.56

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
SCHEMBL8843709 0.88 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL13743046 0.85 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9563125 0.83 AGTR1 (0.57) AGTR1AGTR2GPR4
SCHEMBL14409680 0.83 — —
SCHEMBL5421726 0.81 — —
SCHEMBL8741166 0.81 AGTR2 (0.61) AGTR1AGTR2GPR4
SCHEMBL4320345 0.81 — —
Methylamine SCHEMBL9307845 0.81 — —
SCHEMBL5434268 0.80 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL9563137 0.79 AGTR2 (0.57) AGTR1AGTR2GPR4

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
EP-0649424-A1 DIOXCYCLOBUTENE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS Knoll AG (DE) 1995-04-26 — — EP disclosed
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