SCHEMBL2355008

SCHEMBL2355008

Cc1cc(N(C(=O)OC(C)(C)C)C2CCNCC2)cnn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.34
SLC6A4 P31645 4/20 0.34
PLAT P00750 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
QPCT Q16769 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
EHMT2 Q96KQ7 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL9900770 0.79 NPC1 (0.40) TACR1SLC6A4PLATQPCTSLC6A2
SCHEMBL12469312 0.76 SLC6A2 (0.46) TACR1SLC6A4MEN1KMT2ASLC6A2
SCHEMBL30502020 0.75 GPR119 (0.40) TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL17560116 0.75 TACR1 (0.41) TACR1SLC6A4MEN1KMT2ASLC6A2
SCHEMBL28952936 0.74 TACR1 (0.40) TACR1SLC6A4MEN1KMT2ASLC6A2
SCHEMBL27808000 0.74 TACR1 (0.40) TACR1SLC6A4MEN1KMT2ASLC6A2
SCHEMBL29017156 0.74 GPR119 (0.38) TACR1SLC6A4PLATMEN1KMT2A
SCHEMBL2348264 0.74 TACR1 (0.42) TACR1SLC6A4MEN1KMT2ASLC6A2
SCHEMBL2354852 0.73 TACR1 (0.40) TACR1SLC6A4SLC6A2SLC6A3TLR9
SCHEMBL26697116 0.72 SLC6A4 (0.34) TACR1SLC6A4PLATSLC6A2SLC6A3

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
CN-103025724-A Piperidine derivatives HOFFMANN LA ROCHE 2013-04-03 CN disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed