SCHEMBL7877904

SCHEMBL7877904

C=C(S/C=C\N)C(=O)N1CCN(C2CN(C(=O)c3cc4ccc(C(F)(F)F)cc4s3)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.40
CHRNA7 P36544 2/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
TP53 P04637 1/20 0.34
SCN9A Q15858 4/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
GPR183 P32249 1/20 0.31
HTR3A P46098 1/20 0.31

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
SCHEMBL698796 0.80 MGLL (0.47) MGLLCHRNA7JAK2JAK1DPP4
SCHEMBL911368 0.78 MGLL (0.58) MGLLCHRNA7ACACBACACAHRH4
SCHEMBL694263 0.77 SCN9A (0.49) MGLLCHRNA7JAK2JAK1DPP4
SCHEMBL695200 0.74 MGLL (0.48) MGLLCHRNA7JAK2JAK1DPP4
SCHEMBL912235 0.74 MGLL (0.51) MGLLCHRNA7
SCHEMBL912520 0.74 MGLL (0.69) MGLLCHRNA7JAK2JAK1SCN9A
SCHEMBL912352 0.73 MGLL (0.56) MGLLACACBACACAHRH4
SCHEMBL120247 0.73 CHRNA7 (0.47) MGLLCHRNA7JAK2JAK1DPP4
SCHEMBL912558 0.70 MGLL (0.58) MGLLCHRNA7ACACBACACAHRH4
SCHEMBL911738 0.69 MGLL (0.46) MGLLCHRNA7DPP4DPP8TP53

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 5 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-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-2010124114-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