SCHEMBL14648095

SCHEMBL14648095

Cc1cn(-c2cccc(F)c2)c2ccc(C(=O)N3CC(N4CCN(C(=O)c5ccccc5)CC4)C3)cc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.57
SCN2B O60939 3/20 0.53
SCN1A P35498 3/20 0.53
SCN1B Q07699 3/20 0.53
SCN5A Q14524 3/20 0.53
SCN9A Q15858 3/20 0.53
HTT P42858 1/20 0.48
USP2 O75604 1/20 0.46
TNF P01375 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL911679 0.92 MGLL (0.59) MGLLSCN2BSCN1ASCN1BSCN5A
SCHEMBL14648017 0.91 MGLL (0.69) MGLLSCN2BSCN1ASCN1BSCN5A
SCHEMBL14647947 0.86 MGLL (0.61) MGLLSCN2BSCN1ASCN1BSCN5A
SCHEMBL698599 0.84 MGLL (0.64) MGLLHTTTNFMEN1KMT2A
SCHEMBL700090 0.81 MGLL (0.72) MGLLHTTTNFMEN1KMT2A
SCHEMBL14648023 0.79 MGLL (0.61) MGLLSCN2BSCN1ASCN1BSCN5A
SCHEMBL14647926 0.79 MGLL (0.61) MGLL
SCHEMBL14648138 0.79 MGLL (0.46) MGLLSCN2BSCN1ASCN1BSCN5A
SCHEMBL911264 0.77 HTT (0.63) MGLLHTTUSP2MEN1KMT2A
SCHEMBL911565 0.77 HTT (0.63) MGLLHTTUSP2MEN1KMT2A

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