SCHEMBL1379138

SCHEMBL1379138

CN(Cc1cccc(C#N)c1)C(=O)CF

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.52
MEP1B Q16820 1/20 0.52
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
NSD2 O96028 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
AOC3 Q16853 3/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAOB P27338 1/20 0.44
GLA P06280 1/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PDK1 Q15118 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 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
SCHEMBL29565551 0.87 MEP1A (0.53) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL24160931 0.86 MEP1A (0.56) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL19049388 0.86 MEP1A (0.52) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL19002486 0.84 MEP1A (0.51) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL12505597 0.84 MEP1A (0.56) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL19049392 0.83 SLC6A2 (0.53) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL19002494 0.83 MEP1A (0.53) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL320434 0.77 MEP1A (0.49) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL17882315 0.77 RIPK1 (0.66) MEP1AMEP1BHSD17B1HSD17B2
SCHEMBL153971 0.76 MEP1A (0.53) MEP1AMEP1BSLC6A2SLC6A4SLC6A3

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
JP-4705630-B2 2011-06-22 JP claimed
EP-1732892-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-12-20 EP claimed
WO-2005092856-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 WO claimed