SCHEMBL9296100

SCHEMBL9296100

CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncc(C(=O)OCC)s1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.60
AGTR2 P50052 18/20 0.60

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
SCHEMBL9296083 0.90 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9296073 0.88 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9295812 0.87 AGTR1 (0.74) AGTR1AGTR2
SCHEMBL9296789 0.87 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9296557 0.85 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL9589685 0.85 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9591559 0.84 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9590097 0.83 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL9591409 0.83 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9590791 0.82 AGTR1 (0.57) AGTR1AGTR2

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
US-5326776-A Tetrazoles ABBOTT LABORATORIES (US) 1994-07-05 US disclosed