SCHEMBL458295

SCHEMBL458295

CC(C)(C)OC(=O)NC1CCN(Cc2ccc(N)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TEAD1 P28347 1/20 0.49
CTSK P43235 2/20 0.49
KCNA3 P22001 1/20 0.48
MCHR1 Q99705 1/20 0.47
JAK1 P23458 1/20 0.47
DRD4 P21917 5/20 0.47
DRD2 P14416 3/20 0.47
CCR2 P41597 1/20 0.46
LTA4H P09960 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
UTS2R Q9UKP6 1/20 0.46
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45

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
SCHEMBL3993415 1.00 SIGMAR1 (0.51) SIGMAR1KMT2AL3MBTL1TEAD1CTSK
SCHEMBL27226915 0.93 SIGMAR1 (0.59) SIGMAR1KMT2AL3MBTL1TEAD1KCNA3
SCHEMBL23152284 0.92 KMT2A (0.49) KMT2AL3MBTL1TEAD1CTSKKCNA3
SCHEMBL28674382 0.92 KMT2A (0.49) KMT2AL3MBTL1TEAD1CTSKKCNA3
SCHEMBL4433119 0.91 CCR2 (0.55) SIGMAR1KMT2AL3MBTL1TEAD1DRD4
SCHEMBL29725664 0.91 CCR2 (0.55) SIGMAR1KMT2AL3MBTL1TEAD1DRD4
SCHEMBL29725714 0.91 CCR2 (0.55) SIGMAR1KMT2AL3MBTL1TEAD1DRD4
SCHEMBL4231721 0.89 DRD2 (0.55) SIGMAR1KMT2AL3MBTL1TEAD1MCHR1
SCHEMBL2030049 0.89 DRD2 (0.55) SIGMAR1KMT2AL3MBTL1TEAD1MCHR1
SCHEMBL2241424 0.89 KMT2A (0.63) SIGMAR1KMT2AL3MBTL1KCNA3MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
EP-2038253-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C Arrow Therapeutics Limited (GB) 2009-03-25 EP disclosed
WO-2007138242-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-12-06 WO disclosed