SCHEMBL6160431

SCHEMBL6160431

O=C(O)Cc1cccc(NC(=O)c2nc(C3CCCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.79
PDE5A O76074 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
SCHEMBL6160236 1.00 CCKBR (0.79) CCKBRPDE5A
SCHEMBL6160905 0.88 CCKBR (1.00) CCKBR
SCHEMBL6159682 0.88 CCKBR (1.00) CCKBR
SCHEMBL6160887 0.88 CCKBR (1.00) CCKBR
SCHEMBL6160920 0.88 CCKBR (0.61) CCKBR
SCHEMBL7083603 0.87 CCKBR (0.81) CCKBR
SCHEMBL6160142 0.85 CCKBR (0.58) CCKBR
SCHEMBL6160495 0.84 CCKBR (0.64) CCKBR
SCHEMBL6168427 0.82 CCKBR (0.74) CCKBR
SCHEMBL6159688 0.82 CCKBR (0.74) CCKBR

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
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