SCHEMBL9709660

SCHEMBL9709660

CCOC(=O)c1ccc2nc(CC)cc(NCc3ccc(-c4ccccc4C(=O)O)cc3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.45
AGTR2 P50052 5/20 0.45
LTB4R2 Q9NPC1 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9709723 0.86 AGTR1 (0.47) AGTR1AGTR2RAB9AALDH1A1L3MBTL1
SCHEMBL9709657 0.83 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9709862 0.83 BDKRB1 (0.46) AGTR1AGTR2LTB4R2
SCHEMBL9709799 0.82 CD38 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL9709740 0.81 LTB4R2 (0.51) AGTR1AGTR2LTB4R2
SCHEMBL9709971 0.80 CD38 (0.52) AGTR1AGTR2LTB4R2
SCHEMBL9709569 0.76 PPARG (0.48) AGTR1AGTR2LTB4R2NPSR1ALDH1A1
SCHEMBL9709741 0.75 KDM4E (0.57) AGTR1AGTR2LTB4R2
SCHEMBL9709750 0.74 DHODH (0.59) AGTR1AGTR2LTB4R2
SCHEMBL9709869 0.72 AGTR1 (0.43) AGTR1AGTR2LTB4R2

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