SCHEMBL2720564

SCHEMBL2720564

O=C(c1ccccc1)N1CCC(NC2CN(C(=O)c3cc4ccc(C(F)(F)F)cc4s3)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.45
CCR2 P41597 5/20 0.45
SFRP1 Q8N474 2/20 0.42
MGLL Q99685 1/20 0.41
RBP4 P02753 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 1/20 0.41
TEAD1 P28347 1/20 0.40
EPHX1 P07099 1/20 0.40
MAP3K12 Q12852 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
IDH1 O75874 1/20 0.39
IDH2 P48735 1/20 0.39

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
SCHEMBL2130918 1.00 CHRNA7 (0.45) CHRNA7CCR2SFRP1MGLLRBP4
SCHEMBL2722386 0.93 MCHR1 (0.42) CHRNA7CCR2SFRP1MGLLTEAD1
SCHEMBL2130863 0.93 MCHR1 (0.42) CHRNA7CCR2SFRP1MGLLTEAD1
SCHEMBL2131818 0.93 CCR2 (0.45) CHRNA7CCR2SFRP1RBP4MEN1
SCHEMBL2720366 0.93 CCR2 (0.45) CHRNA7CCR2SFRP1RBP4MEN1
SCHEMBL2722500 0.91 CCR2 (0.45) CCR2MGLLRBP4KMT2A
SCHEMBL2129647 0.91 CCR2 (0.45) CCR2MGLLRBP4KMT2A
SCHEMBL2731955 0.88 MCHR1 (0.44) CCR2SFRP1TEAD1
SCHEMBL2133483 0.88 MCHR1 (0.44) CCR2SFRP1TEAD1
SCHEMBL2722933 0.86 CCR2 (0.45) CCR2MGLLRBP4

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