SCHEMBL9709869

SCHEMBL9709869

Cc1cc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c2nc(-c3nnn[nH]3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.43
AGTR2 P50052 7/20 0.43
CD38 P28907 1/20 0.41
BDKRB1 P46663 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.38
VCP P55072 1/20 0.38

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
SCHEMBL9709790 0.89 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9709621 0.88 AGTR1 (0.44) AGTR1AGTR2CD38BDKRB1LTB4R2
SCHEMBL9709886 0.85 AGTR1 (0.46) AGTR1AGTR2CD38VCP
SCHEMBL9709799 0.83 CD38 (0.47) AGTR1AGTR2CD38BDKRB1LTB4R2
SCHEMBL9709809 0.81 AGTR1 (0.45) AGTR1AGTR2CD38
SCHEMBL9709971 0.81 CD38 (0.52) AGTR1AGTR2CD38BDKRB1LTB4R2
SCHEMBL9709600 0.79 AGTR1 (0.48) AGTR1AGTR2CD38VCP
SCHEMBL9709643 0.78 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL3058636 0.78 CD38 (0.56) CD38BDKRB1LTB4R2
SCHEMBL9709928 0.78 AGTR1 (0.44) 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 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