SCHEMBL6157700

SCHEMBL6157700

O=C(OCc1ccccc1)c1nc(C23C=CC(CC2)CC3)[nH]c1COC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.39
EPHX2 P34913 5/20 0.34
FKBP1A P62942 2/20 0.33
FAAH O00519 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP17A1 P05093 2/20 0.32
CYP19A1 P11511 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL6158481 0.87 CCKBR (0.56) CCKBR
SCHEMBL6162299 0.86 CCKBR (0.42) CCKBR
SCHEMBL6096321 0.78 CCKBR (0.61) CCKBREPHX2FKBP1A
SCHEMBL6160458 0.78 CCKBR (0.46) CCKBREPHX2FKBP1AFAAHCNR2
SCHEMBL6159001 0.78 CCKBR (0.51) CCKBREPHX2FKBP1ACYP1A2CYP3A4
SCHEMBL6159643 0.77 CCKBR (0.40) CCKBREPHX2
SCHEMBL6163751 0.77 CCKBR (0.41) CCKBREPHX2
SCHEMBL6160216 0.77 CCKBR (0.43) CCKBREPHX2FKBP1ACYP1A2CYP3A4
SCHEMBL6158115 0.77 CCKBR (0.43) CCKBREPHX2FKBP1ACYP1A2CYP3A4
SCHEMBL6159387 0.77 CCKBR (0.43) CCKBREPHX2FKBP1ACYP1A2CYP3A4

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