SCHEMBL9296555

SCHEMBL9296555

CCCN(Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1nn(C)cc1C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 19/20 0.54
AGTR2 P50052 18/20 0.54
AGT P01019 1/20 0.42

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
SCHEMBL9545115 0.92 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL8533668 0.91 AGTR1 (0.45) AGTR1AGTR2AGT
SCHEMBL9589082 0.88 AGTR1 (0.52) AGTR1AGTR2AGT
SCHEMBL9591500 0.88 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9590162 0.87 AGTR1 (0.54) AGTR1AGTR2AGT
SCHEMBL9542915 0.86 AGT (0.46) AGTR1AGTR2AGT
SCHEMBL9591014 0.86 AGTR1 (0.55) AGTR1AGTR2AGT
SCHEMBL9592537 0.86 AGTR1 (0.55) AGTR1AGTR2AGT
SCHEMBL9591658 0.86 AGTR1 (0.54) AGTR1AGTR2AGT
SCHEMBL9591067 0.85 AGTR1 (0.55) AGTR1AGTR2AGT

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