SCHEMBL14647948

SCHEMBL14647948

O=C(c1nccs1)N1CCN(C2CN(Cc3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.52
S1PR1 P21453 2/20 0.46
S1PR5 Q9H228 2/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KCNH2 Q12809 2/20 0.44
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
SCN1A P35498 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
AURKA O14965 1/20 0.41

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
SCHEMBL14647914 0.90 MGLL (0.49) MGLLS1PR1S1PR5ALDH1A1MAPT
SCHEMBL14647922 0.90 MGLL (0.50) MGLLS1PR1S1PR5USP2HPGD
SCHEMBL697054 0.88 KCNH2 (0.55) MGLLALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL14647949 0.87 MGLL (0.48) MGLLS1PR1S1PR5ALDH1A1SMN1; SMN2
SCHEMBL14647976 0.86 S1PR5 (0.58) MGLLS1PR1S1PR5KCNH2
SCHEMBL14648168 0.82 MGLL (0.46) MGLLS1PR1S1PR5AURKA
SCHEMBL699434 0.81 MGLL (0.51) MGLLALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL911641 0.80 MGLL (0.57) MGLLS1PR1S1PR5MAPT
SCHEMBL14648035 0.80 MGLL (0.50) MGLLS1PR1S1PR5KCNH2
SCHEMBL693200 0.78 MGLL (0.51) MGLLALDH1A1SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed