SCHEMBL9709729

SCHEMBL9709729

CCc1cc(NCc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2cc(C(=O)O)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.44
AGTR2 P50052 10/20 0.44
AGT P01019 2/20 0.41

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
SCHEMBL9709873 0.89 AGTR1 (0.45) AGTR1AGTR2AGT
SCHEMBL9709733 0.82 AGTR1 (0.39) AGTR1AGTR2AGT
SCHEMBL9709718 0.82 AGTR1 (0.42) AGTR1AGTR2AGT
SCHEMBL9709712 0.80 AGT (0.41) AGTR1AGTR2AGT
SCHEMBL7569191 0.79 AGTR1 (0.39) AGTR1AGTR2AGT
SCHEMBL3061585 0.79 AGTR1 (0.44) AGTR1AGTR2AGT
SCHEMBL9709743 0.79 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9709679 0.75 CD38 (0.45) AGTR1AGTR2AGT
SCHEMBL9709723 0.74 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9709871 0.74 AGT (0.45) 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
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed