SCHEMBL6162431

SCHEMBL6162431

Cc1ccccc1-c1nc(C=O)c(CCC23CC4CC(CC(C4)C2)C3)n1C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.35
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL7085195 0.82 P2RX7 (0.39) P2RX7
SCHEMBL6157910 0.81 P2RX7 (0.36) P2RX7HSD11B1
SCHEMBL6158526 0.81
SCHEMBL6158523 0.81
SCHEMBL7680109 0.79 EPHX2 (0.36)
SCHEMBL7680113 0.79 EPHX2 (0.36)
SCHEMBL6159838 0.79 PPARG (0.39) P2RX7CNR2
SCHEMBL6162070 0.74
SCHEMBL7533804 0.72 P2RX7 (0.38) P2RX7CNR2
SCHEMBL6158527 0.72 PPARG (0.39) P2RX7MEN1KMT2ACNR2

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 2 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