SCHEMBL9709723

SCHEMBL9709723

CCOC(=O)c1ccc2nc(CC)cc(NCc3ccc(-c4ccccc4C(=O)O)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.47
AGTR2 P50052 4/20 0.47
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX15 P16050 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
SCHEMBL9709660 0.86 AGTR1 (0.45) AGTR1AGTR2ALDH1A1L3MBTL1RAB9A
SCHEMBL9709740 0.85 LTB4R2 (0.51) AGTR1AGTR2PPARG
SCHEMBL9709698 0.84 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9709700 0.81 VCP (0.52) AGTR1AGTR2ALDH1A1L3MBTL1PPARG
SCHEMBL9709814 0.79 CD38 (0.55) ALDH1A1L3MBTL1PPARG
SCHEMBL9709741 0.78 KDM4E (0.57) AGTR1AGTR2PPARG
SCHEMBL9709750 0.78 DHODH (0.59) AGTR1AGTR2PPARG
SCHEMBL9709862 0.77 BDKRB1 (0.46) AGTR1AGTR2
SCHEMBL3058636 0.75 CD38 (0.56) RAB9A
SCHEMBL9709729 0.74 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