SCHEMBL6158930

SCHEMBL6158930

O=C(OCc1ccccc1)c1nc(C2CCCCC2)[nH]c1CCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.41
ADORA3 P0DMS8 4/20 0.36
ADORA2A P29274 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAOB P27338 1/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
EPHX2 P34913 1/20 0.34
HSD11B1 P28845 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL6158248 0.86 ADORA3 (0.39) CCKBRADORA3
SCHEMBL6159433 0.84 CCKBR (0.47) CCKBRADORA3EPHX2
SCHEMBL6159409 0.82 CCKBR (0.46) CCKBRADORA3EPHX2
SCHEMBL6096321 0.81 CCKBR (0.61) CCKBRADORA3EPHX2
SCHEMBL6159844 0.81 CCKBR (0.41) CCKBRADORA3ADORA2ACYP3A4TSHR
SCHEMBL6159815 0.76 CCKBR (0.39) CCKBRADORA3ADORA2ACYP3A4TSHR
SCHEMBL6159230 0.74 CCKBR (0.69) CCKBR
SCHEMBL6096327 0.74 CCKBR (0.43) CCKBRADORA3EPHX2
SCHEMBL6159001 0.73 CCKBR (0.51) CCKBRADORA2ACYP3A4EPHX2ADORA1
SCHEMBL6159969 0.72 RNASEH1 (0.43) CCKBRADORA3ADORA2ATSHREPHX2

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 4 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
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed