SCHEMBL7869352

SCHEMBL7869352

C=C(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)N1CC(N2CCN(C(=O)c3ccccc3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.48
S1PR5 Q9H228 3/20 0.48
HTR2A P28223 1/20 0.48
KCNH2 Q12809 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A7 Q99884 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
HRH3 Q9Y5N1 4/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 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
SCHEMBL693102 0.93 S1PR1 (0.53) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL14647930 0.85 ALDH1A1 (0.50) ALDH1A1NPC1MAPTRAB9ASLC6A7
SCHEMBL14648011 0.83 HPGD (0.52) KCNH2ALDH1A1NPC1MAPTRAB9A
SCHEMBL911234 0.83 ALDH1A1 (0.65) ALDH1A1NPC1MAPTRAB9ASLC6A7
SCHEMBL912093 0.82 MGLL (0.58) S1PR1S1PR5ALDH1A1NPC1MAPT
SCHEMBL912086 0.82 SLC6A7 (0.51) ALDH1A1NPC1MAPTRAB9ASLC6A7
SCHEMBL15949477 0.81 SLC6A7 (0.63) ALDH1A1NPC1MAPTRAB9ASLC6A7
SCHEMBL14648055 0.81 S1PR1 (0.52) S1PR1S1PR5ALDH1A1NPC1MAPT
SCHEMBL14984872 0.80 CCR3 (0.51) KCNH2SIGMAR1ALDH1A1KDM4EKMT2A
SCHEMBL912500 0.79 NR4A2 (0.56) S1PR1S1PR5ALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124112-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed