SCHEMBL7770409

SCHEMBL7770409

CC(C)(C)OC(=O)NCc1cccc(C(=O)N2CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.51
PARP1 P09874 5/20 0.49
SIGMAR1 Q99720 1/20 0.46
CNR2 P34972 1/20 0.46
NAMPT P43490 2/20 0.44

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
SCHEMBL7766588 0.86 NAMPT (0.48) CHRM3SIGMAR1NAMPT
SCHEMBL21016173 0.85 CHRM3 (0.53) CHRM3PARP1SIGMAR1
SCHEMBL1300408 0.81 NAMPT (0.44) PARP1SIGMAR1CNR2NAMPT
SCHEMBL7766544 0.79 CNR2 (0.42) PARP1SIGMAR1CNR2NAMPT
SCHEMBL18652719 0.79 NAMPT (0.42) PARP1CNR2NAMPT
SCHEMBL6447563 0.79 NAMPT (0.55) NAMPT
SCHEMBL13650892 0.78 SIGMAR1 (0.55) CHRM3PARP1SIGMAR1CNR2
SCHEMBL7771603 0.78 ROCK2 (0.53) CHRM3
SCHEMBL184425 0.78 NR1H4 (0.61) NAMPT
SCHEMBL13135999 0.78 GLS (0.50) NAMPT

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-1115731-A2 NOVEL PYRANOSES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-07-18 EP disclosed
WO-2000014097-A2 NOVEL PYRANOSES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-16 WO disclosed