SCHEMBL6159727

SCHEMBL6159727

Cc1ccccc1-c1nc(C(=O)OCc2ccccc2)c(CCC2CCCCC2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
LDLR P01130 2/20 0.40
ADORA3 P0DMS8 2/20 0.39
BRS3 P32247 1/20 0.37

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
SCHEMBL6159783 0.83 SLC9A1 (0.39)
SCHEMBL6158248 0.81 ADORA3 (0.39) ADORA3
SCHEMBL6158738 0.80 EPHX2 (0.40)
SCHEMBL6161018 0.77 RAB9A (0.39)
SCHEMBL6160584 0.75
SCHEMBL6158987 0.75 LDLR (0.49) LDLR
SCHEMBL6159561 0.74 SLC9A1 (0.43) BRS3
SCHEMBL6161614 0.72 BRS3 (0.41) BRS3
SCHEMBL6158375 0.72 PIN1 (0.49) BRS3
SCHEMBL6157631 0.70

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
CN-1325385-A Gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2001-12-05 CN disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed