SCHEMBL14648002

SCHEMBL14648002

O=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc(OCc4ccc(Cl)cc4)c(I)c3)C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MGLL Q99685 4/20 0.46
KDM4E B2RXH2 1/20 0.46
CSF1R P07333 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL14647866 0.89 HPGD (0.52) HPGDUSP2ALDH1A1MEN1KMT2A
SCHEMBL911234 0.85 ALDH1A1 (0.65) HPGDUSP2ALDH1A1MEN1KMT2A
SCHEMBL14648011 0.82 HPGD (0.52) HPGDUSP2ALDH1A1MEN1KMT2A
SCHEMBL14648127 0.81 HPGD (0.52) HPGDUSP2ALDH1A1MEN1KMT2A
SCHEMBL694035 0.81 KCNH2 (0.61) HPGDUSP2ALDH1A1MAPTNPC1
SCHEMBL15949460 0.81 ALDH1A1 (0.58) HPGDALDH1A1MEN1KMT2AMGLL
SCHEMBL15240797 0.81 RXRA (0.57) HPGDUSP2ALDH1A1MEN1KMT2A
SCHEMBL14648055 0.80 S1PR1 (0.52) HPGDUSP2ALDH1A1MEN1KMT2A
SCHEMBL912269 0.78 KCNA5 (0.60) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL15949477 0.78 SLC6A7 (0.63) HPGDALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP disclosed
US-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed