SCHEMBL7688549

SCHEMBL7688549

O=C(O)c1cc(NC(=O)c2ccn(-c3ccccc3CC3CCCCCC3)c2)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 1/20 0.43
CREBBP Q92793 3/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7688552 0.72 CREBBP (0.43) CREBBPPKML3MBTL1
SCHEMBL7946943 0.71 CNR1 (0.43) PPM1DCREBBP
SCHEMBL6161229 0.68
SCHEMBL6161594 0.67 GAA (0.41) PPM1DPKM
SCHEMBL6163660 0.66
SCHEMBL6866111 0.65 L3MBTL1 (0.85) PKML3MBTL1
SCHEMBL27933792 0.65 PTGS1 (0.39)
SCHEMBL7682842 0.64 PKM (0.38) PKML3MBTL1
SCHEMBL7298560 0.63 PPM1D (0.53) PPM1D
SCHEMBL14758994 0.62 L3MBTL1 (1.00) 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