SCHEMBL6159631

SCHEMBL6159631

O=C(OCc1ccccc1)c1cccc(NC(=O)c2c(COC34CC5CC(CC(C5)C3)C4)nc(C3CCCCC3)n2O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.53
RAB9A P51151 1/20 0.42
MAPT P10636 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
KDM1B Q8NB78 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
PTPN1 P18031 1/20 0.36
CCKAR P32238 1/20 0.36

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
SCHEMBL6158876 0.90 CCKBR (0.64) CCKBRRAB9AMEN1KMT2ACCKAR
SCHEMBL6161135 0.84 CCKBR (0.43) CCKBRRAB9AMAPTKMT2AKDM1A
SCHEMBL7083603 0.81 CCKBR (0.81) CCKBRRAB9A
SCHEMBL6161329 0.75 CCKBR (0.55) CCKBR
SCHEMBL6339911 0.75 CCKBR (0.44) CCKBRMEN1KMT2ATSHR
SCHEMBL6492753 0.74 POLB (0.46) CCKBRRAB9AMAPTKMT2A
SCHEMBL6160606 0.73 CCKBR (0.52) CCKBR
SCHEMBL6064529 0.73 CCKBR (0.59) CCKBRRAB9AMAPTMEN1KMT2A
SCHEMBL6161342 0.72 CCKBR (0.51) CCKBR
SCHEMBL7462643 0.72 RAB9A (0.54) CCKBRRAB9AMAPTKMT2ATSHR

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