SCHEMBL7688552

SCHEMBL7688552

O=C(O)c1cc(NC(=O)c2ccn(-c3ccccc3)c2CC2CCCCCC2)cc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL7946943 0.85 CNR1 (0.43) CREBBPCNR1CNR2
SCHEMBL6161594 0.75 GAA (0.41) PKM
SCHEMBL6161229 0.74
SCHEMBL7688549 0.72 PPM1D (0.43) CREBBPPKML3MBTL1
SCHEMBL6161953 0.70
SCHEMBL6163660 0.68
SCHEMBL6160939 0.67 CNR1 (0.50) CNR1CNR2
SCHEMBL6164410 0.66
SCHEMBL7682842 0.66 PKM (0.38) PKML3MBTL1
SCHEMBL30179632 0.65 CYP2C9 (0.67) PKML3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed