SCHEMBL6159684

SCHEMBL6159684

O=C(O)c1nc(CC23CC4CC(CC(C4)C2)C3)[nH]c1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.45
P2RX7 Q99572 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6160385 0.74 CYP1A2 (0.48)
SCHEMBL6159124 0.70
SCHEMBL6157825 0.69
SCHEMBL6159969 0.68 RNASEH1 (0.43) RNASEH1EPHX1EPHX2NPC1RAB9A
SCHEMBL7084980 0.68
SCHEMBL354182 0.67 MEN1 (0.56) P2RX7MEN1KMT2AEPHX2
SCHEMBL6160099 0.67 KDM4E (0.46)
SCHEMBL6159817 0.66
SCHEMBL6163076 0.64
SCHEMBL6158657 0.64 CCKBR (0.47)

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