SCHEMBL16564530

SCHEMBL16564530

O=C(NC1CN(C2CN(C(=O)c3nc4cc(C(F)(F)F)ccc4s3)C2)C1)c1nccs1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.53
CCRL2 O00421 4/20 0.40
CCR2 P41597 7/20 0.40
KCNH2 Q12809 5/20 0.40
FAAH O00519 1/20 0.39
DYRK1A Q13627 1/20 0.38
DHODH Q02127 1/20 0.37

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
SCHEMBL16564435 0.85 MGLL (0.53) MGLLCCRL2CCR2KCNH2FAAH
SCHEMBL16564486 0.81 MGLL (0.57) MGLLCCRL2CCR2KCNH2FAAH
SCHEMBL16564472 0.81 MGLL (0.49) MGLLCCRL2CCR2KCNH2
SCHEMBL145402 0.81 MGLL (0.60) MGLLCCRL2CCR2KCNH2FAAH
SCHEMBL148315 0.78 MGLL (0.57) MGLLCCRL2CCR2KCNH2FAAH
SCHEMBL16564330 0.78 MGLL (0.53) MGLLCCRL2CCR2KCNH2FAAH
SCHEMBL145001 0.78 MGLL (0.57) MGLLCCR2KCNH2FAAH
SCHEMBL16564451 0.77 MGLL (0.53) MGLLCCRL2CCR2KCNH2FAAH
SCHEMBL16564522 0.77 MGLL (0.85) MGLLCCR2KCNH2FAAH
SCHEMBL16564386 0.76 MGLL (0.61) MGLLCCRL2CCR2KCNH2FAAH

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
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed