SCHEMBL6160599

SCHEMBL6160599

O=C(O)c1nc(C2CC3C=CC2C3)[nH]c1COC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.47
EPHX2 P34913 1/20 0.33
CYP19A1 P11511 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6160058 1.00 CCKBR (0.47) CCKBREPHX2CYP19A1MEN1ALDH1A1
SCHEMBL6160565 1.00 CCKBR (0.47) CCKBREPHX2CYP19A1MEN1ALDH1A1
SCHEMBL6160469 0.86 CCKBR (0.43) CCKBREPHX2CYP19A1ALDH1A1KMT2A
SCHEMBL6160216 0.86 CCKBR (0.43) CCKBREPHX2CYP19A1ALDH1A1KMT2A
SCHEMBL6159387 0.86 CCKBR (0.43) CCKBREPHX2CYP19A1ALDH1A1KMT2A
SCHEMBL6158115 0.86 CCKBR (0.43) CCKBREPHX2CYP19A1ALDH1A1KMT2A
SCHEMBL6159059 0.86 CCKBR (0.43) CCKBREPHX2CYP19A1ALDH1A1KMT2A
SCHEMBL6159764 0.83 EPHX2 (0.39) EPHX2
SCHEMBL6163847 0.83 CCKBR (0.73) CCKBR
SCHEMBL6160788 0.83 CCKBR (0.73) 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 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