SCHEMBL15949474

SCHEMBL15949474

O=C(c1ccc2c(c1)ncn2-c1ccc(F)cc1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 1.00
POLB P06746 1/20 0.54
FAAH O00519 1/20 0.53
HPGD P15428 7/20 0.49
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL15949329 0.92 MGLL (0.86) MGLLPOLBHPGDALDH1A1
SCHEMBL15949435 0.92 MGLL (0.85) MGLLPOLBFAAHHPGDALDH1A1
SCHEMBL912466 0.91 MGLL (0.84) MGLLHPGDALDH1A1
SCHEMBL910872 0.86 MGLL (0.81) MGLLPOLBFAAH
SCHEMBL912116 0.86 MGLL (0.75) MGLLPOLBHPGD
SCHEMBL912004 0.86 MGLL (0.75) MGLLPOLBHPGD
SCHEMBL15949218 0.84 MGLL (0.73) MGLLPOLBFAAHHPGDALDH1A1
SCHEMBL14648033 0.84 MGLL (0.73) MGLLPOLBFAAH
SCHEMBL695655 0.83 MGLL (1.00) MGLLFAAHHPGDALDH1A1
SCHEMBL911857 0.82 MGLL (0.68) MGLLPOLBFAAHALDH1A1

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