SCHEMBL7766536

SCHEMBL7766536

CC(C)(C)OC(=O)NCc1cccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.69
MCHR1 Q99705 3/20 0.58
DCUN1D1 Q96GG9 2/20 0.54
KMT2A Q03164 4/20 0.54
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
SIGMAR1 Q99720 4/20 0.53
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
UBE2M P61081 1/20 0.52
EPHX1 P07099 1/20 0.51
EPHX2 P34913 1/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL7766531 0.88 KMT2A (0.62) DRD4MCHR1KMT2ADRD2SIGMAR1
SCHEMBL26813993 0.85 DRD4 (0.51) DRD4MCHR1KMT2ASIGMAR1MEN1
SCHEMBL915402 0.84 KMT2A (0.65) DRD4MCHR1KMT2ADRD2DRD3
SCHEMBL4730142 0.82 SIGMAR1 (0.62) DRD4KMT2ASIGMAR1MEN1POLB
SCHEMBL7770471 0.82 BRD4 (0.48) DRD4MCHR1KMT2AMEN1POLB
SCHEMBL9542849 0.81 ROCK2 (0.49) DRD4KMT2ADRD2
SCHEMBL1412221 0.80 KMT2A (0.58) DRD4MCHR1DCUN1D1KMT2ADRD2
SCHEMBL1412219 0.80 KMT2A (0.58) DRD4MCHR1DCUN1D1KMT2ADRD2
SCHEMBL7766534 0.80 OPRM1 (0.50) DRD4DCUN1D1UBE2M
SCHEMBL3593211 0.80 KDM4E (0.58) DRD4MCHR1KMT2ASIGMAR1MEN1

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