SCHEMBL15949299

SCHEMBL15949299

CCOc1ccc(C(=O)N2CC(N3CCN(C(=O)c4ccccc4)CC3)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HSD17B10 Q99714 1/20 0.64
KDM4E B2RXH2 4/20 0.63
LMNA P02545 3/20 0.63
PKM P14618 2/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HPGD P15428 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
GAA P10253 1/20 0.61
NPC1 O15118 1/20 0.55
MAPT P10636 3/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RECQL P46063 1/20 0.52
POLB P06746 1/20 0.51
KCNA5 P22460 1/20 0.51

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
SCHEMBL15949477 0.87 SLC6A7 (0.63) ALDH1A1KDM4ELMNAPKMMAPK1
SCHEMBL15949260 0.85 MGLL (0.67) ALDH1A1KDM4ELMNASMN1; SMN2L3MBTL1
SCHEMBL693780 0.84 KMT2A (0.56) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL15949350 0.83 KDM4E (0.60) ALDH1A1HSD17B10KDM4ELMNAMAPK1
SCHEMBL15949189 0.83 TP53 (0.52) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL912523 0.82 SLC6A7 (0.60) ALDH1A1KDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL912218 0.82 MGLL (0.56) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL911234 0.82 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAPKMMAPK1
SCHEMBL14878216 0.82 MGLL (0.46) ALDH1A1KDM4ELMNAPKMMAPK1
SCHEMBL912086 0.81 SLC6A7 (0.51) ALDH1A1KDM4ELMNAMAPK1SMN1; SMN2

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
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