SCHEMBL7766534

SCHEMBL7766534

CC(C)(C)OC(=O)NCc1cccc(CN(C(N)=O)C2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
UBE2M P61081 2/20 0.48
DCUN1D1 Q96GG9 2/20 0.48
LMNA P02545 4/20 0.45
THRB P10828 1/20 0.44
SLC2A1 P11166 1/20 0.44
ROCK2 O75116 1/20 0.44
NPFFR1 Q9GZQ6 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.44
CCR4 P51679 1/20 0.43
TP53 P04637 1/20 0.43
DRD4 P21917 1/20 0.42

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
SCHEMBL7770467 0.84 TACR1 (0.44) DCUN1D1ROCK2
SCHEMBL7766536 0.80 DRD4 (0.69) UBE2MDCUN1D1DRD4
SCHEMBL9542849 0.77 ROCK2 (0.49) ROCK2NPFFR1NPFFR2DRD4
SCHEMBL7766531 0.77 KMT2A (0.62) DRD4
SCHEMBL13293669 0.76 ROCK2 (0.55) CHRM3ROCK2NPFFR1NPFFR2
SCHEMBL7983755 0.76 MEN1 (0.67) LMNADRD4
SCHEMBL7981628 0.74 CHRM4 (0.53) NPFFR1NPFFR2DRD4
SCHEMBL26813993 0.74 DRD4 (0.51) ROCK2DRD4
SCHEMBL2899690 0.74 OPRM1 (0.48) OPRM1CHRM2CHRM3NPFFR1NPFFR2
SCHEMBL5111754 0.74 ADORA2A (0.52) ROCK2NPFFR1NPFFR2

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