SCHEMBL6160826

SCHEMBL6160826

CCC(C)Cc1[nH]c(-c2ccccc2C)nc1C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.50
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL6162632 0.84 NR1H4 (0.53) NR1H4
SCHEMBL6158927 0.83 NR1H4 (0.51) NR1H4
SCHEMBL6160198 0.80
SCHEMBL6160584 0.79
SCHEMBL6158419 0.79
SCHEMBL6161056 0.78
SCHEMBL27569502 0.77 NR1H4 (0.53) NR1H4CA12CA2CA9
SCHEMBL6159494 0.77 CCKBR (0.68)
SCHEMBL6161018 0.73 RAB9A (0.39)
SCHEMBL6160987 0.71

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 3 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
CN-1325385-A Gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2001-12-05 CN disclosed