SCHEMBL2731835

SCHEMBL2731835

O=C(c1ccccc1)N1CCC(NC2CN(C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.54
CYP2D6 P10635 2/20 0.53
TEAD1 P28347 1/20 0.53
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ADAMTS7 Q9UKP4 2/20 0.51
ADAMTS5 Q9UNA0 2/20 0.51
ADAMTS4 O75173 1/20 0.51
MMP1 P03956 1/20 0.51
ADAM17 P78536 1/20 0.51
ADAMTS1 Q9UHI8 1/20 0.51
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC6A7 Q99884 1/20 0.48
EPHX1 P07099 1/20 0.48
SFRP1 Q8N474 1/20 0.48
SMO Q99835 1/20 0.48
HSD11B1 P28845 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
SCHEMBL2131274 1.00 MCHR1 (0.54) MCHR1CYP2D6TEAD1DRD2DRD4
SCHEMBL2132024 0.91 ADAMTS7 (0.54) MCHR1ADAMTS7ADAMTS5SLC6A7HSD11B1
SCHEMBL2721726 0.91 ADAMTS7 (0.54) MCHR1ADAMTS7ADAMTS5SLC6A7HSD11B1
SCHEMBL2129400 0.90 SIGMAR1 (0.50) MCHR1CYP2D6TEAD1DRD2DRD4
SCHEMBL2619065 0.90 TEAD1 (0.50) MCHR1CYP2D6TEAD1MEN1KMT2A
SCHEMBL2133715 0.90 TEAD1 (0.50) MCHR1CYP2D6TEAD1MEN1KMT2A
SCHEMBL2129398 0.90 SIGMAR1 (0.50) MCHR1CYP2D6TEAD1DRD2DRD4
SCHEMBL2129559 0.89 EPHX1 (0.56) MEN1KMT2AEPHX1HSD11B1
SCHEMBL2133973 0.89 TEAD1 (0.49) MCHR1CYP2D6TEAD1MEN1KMT2A
SCHEMBL2133880 0.89 TEAD1 (0.49) MCHR1CYP2D6TEAD1MEN1KMT2A

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 disclosed
WO-2012054721-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICAL NV (BE) 2012-04-26 WO disclosed