SCHEMBL2733306

SCHEMBL2733306

O=C(c1cscn1)N1CCC(NC2CN(C(=O)c3cc4ccc(-c5cccc(C(F)(F)F)c5)cc4s3)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.42
CCR2 P41597 11/20 0.37
KCNH2 Q12809 4/20 0.37
CYP2D6 P10635 1/20 0.37
MCHR1 Q99705 1/20 0.37
SCN9A Q15858 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
SLC6A7 Q99884 1/20 0.36

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
SCHEMBL2130899 1.00 MGLL (0.42) MGLLCCR2KCNH2CYP2D6MCHR1
SCHEMBL2130123 0.94 MGLL (0.42) MGLLCCR2KCNH2CYP2D6MCHR1
SCHEMBL2132714 0.93 MGLL (0.43) MGLLCCR2KCNH2CYP2D6MCHR1
SCHEMBL2723057 0.93 MGLL (0.43) MGLLCCR2KCNH2CYP2D6MCHR1
SCHEMBL2135736 0.91 MGLL (0.49) MGLLKCNH2CYP2D6MCHR1SCN9A
SCHEMBL2132826 0.90 MGLL (0.41) MGLLCYP2D6MCHR1
SCHEMBL2129567 0.86 SLC6A7 (0.49) MGLLCCR2KCNH2MCHR1SLC6A7
SCHEMBL2129647 0.86 CCR2 (0.45) MGLLCCR2CYP2D6MCHR1SLC6A7
SCHEMBL2722500 0.86 CCR2 (0.45) MGLLCCR2CYP2D6MCHR1SLC6A7
SCHEMBL2732825 0.85 CCR2 (0.43) MGLLCCR2KCNH2CYP2D6MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630139-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-28 EP claimed
WO-2012054721-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICAL NV (BE) 2012-04-26 WO claimed