SCHEMBL6160427

SCHEMBL6160427

Cc1c(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)cccc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.69
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
PTGES O14684 2/20 0.38
PPARG P37231 1/20 0.37
NR1H4 Q96RI1 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
SCHEMBL6161937 0.88 CCKBR (0.53) CCKBR
SCHEMBL6163793 0.85 CCKBR (0.50) CCKBRKDM4EALDH1A1CASP3SENP8
SCHEMBL6161021 0.84 CCKBR (0.74) CCKBR
SCHEMBL6159718 0.84 CCKBR (0.74) CCKBR
SCHEMBL6168427 0.84 CCKBR (0.74) CCKBR
SCHEMBL6160905 0.82 CCKBR (1.00) CCKBR
SCHEMBL6160887 0.82 CCKBR (1.00) CCKBR
SCHEMBL6159682 0.82 CCKBR (1.00) CCKBR
SCHEMBL6159688 0.80 CCKBR (0.74) CCKBR
SCHEMBL6158023 0.79 CCKBR (0.66) 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