SCHEMBL9709862

SCHEMBL9709862

CCc1cc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c2ncccc2n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.46
LTB4R2 Q9NPC1 1/20 0.44
AGTR1 P30556 3/20 0.44
AGTR2 P50052 3/20 0.44
DHODH Q02127 1/20 0.43
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL9709569 0.93 PPARG (0.48) BDKRB1LTB4R2AGTR1AGTR2
SCHEMBL9709740 0.87 LTB4R2 (0.51) LTB4R2AGTR1AGTR2DHODH
SCHEMBL9709660 0.83 AGTR1 (0.45) LTB4R2AGTR1AGTR2
SCHEMBL9709868 0.82 DHODH (0.46) BDKRB1AGTR1AGTR2DHODH
SCHEMBL9709741 0.80 KDM4E (0.57) LTB4R2AGTR1AGTR2DHODH
SCHEMBL9709750 0.79 DHODH (0.59) LTB4R2AGTR1AGTR2DHODH
SCHEMBL9709589 0.79 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9709723 0.77 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9709718 0.76 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9709861 0.76 BDKRB1 (0.47) BDKRB1AGTR1AGTR2

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 2 patents. 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 claimed
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed