SCHEMBL6159328

SCHEMBL6159328

O=C(O)c1nc(C2C3C=CC2C=C3)[nH]c1COC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.50
SCN9A Q15858 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP19A1 P11511 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6160458 0.85 CCKBR (0.46) CCKBRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6159765 0.83 CCKBR (0.56) CCKBRSCN9ACYP1A2CYP3A4CYP2D6
SCHEMBL6158023 0.82 CCKBR (0.66) CCKBRSCN9ACYP2D6CYP2C9
SCHEMBL6160565 0.81 CCKBR (0.47) CCKBRCYP19A1MEN1ALDH1A1HTT
SCHEMBL6160058 0.81 CCKBR (0.47) CCKBRCYP19A1MEN1ALDH1A1HTT
SCHEMBL6160599 0.81 CCKBR (0.47) CCKBRCYP19A1MEN1ALDH1A1HTT
SCHEMBL6159940 0.81 CCKBR (0.79) CCKBR
SCHEMBL6338361 0.75 CCKBR (0.44) CCKBRALDH1A1
SCHEMBL6159947 0.75 CCKBR (0.65) CCKBR
SCHEMBL6162299 0.74 CCKBR (0.42) 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