SCHEMBL9709724

SCHEMBL9709724

CCc1cc(N(C)c2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ncccc2n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.39
AGTR2 P50052 2/20 0.39
AGT P01019 2/20 0.35
TOP1 P11387 5/20 0.33
P2RX7 Q99572 2/20 0.32

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
SCHEMBL9709709 0.90 AGTR1 (0.38) AGTR1AGTR2AGTTOP1P2RX7
SCHEMBL9709733 0.81 AGTR1 (0.39) AGTR1AGTR2AGT
SCHEMBL9709718 0.81 AGTR1 (0.42) AGTR1AGTR2AGTP2RX7
SCHEMBL9709746 0.81 AGTR1 (0.39) AGTR1AGTR2AGT
SCHEMBL9709702 0.73 AGTR1 (0.42) AGTR1AGTR2AGTTOP1P2RX7
SCHEMBL9709873 0.72 AGTR1 (0.45) AGTR1AGTR2AGT
SCHEMBL9178505 0.72 AGTR1 (0.47) AGTR1AGTR2AGT
SCHEMBL9709627 0.71 AGTR1 (0.38) AGTR1AGTR2AGT
SCHEMBL13146764 0.71 AGTR1 (0.55) AGTR1AGTR2AGT
SCHEMBL9709716 0.71 AGT (0.41) 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