SCHEMBL2720366

SCHEMBL2720366

O=C(c1ccccc1)N1CCC(NC2CN(C(=O)c3cc4cc(C(F)(F)F)ccc4s3)C2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.45
CHRNA7 P36544 1/20 0.44
HTR3A P46098 1/20 0.44
TEAD1 P28347 1/20 0.42
SFRP1 Q8N474 2/20 0.42
MAP3K12 Q12852 2/20 0.41
RBP4 P02753 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.40
MCHR1 Q99705 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
EPHX1 P07099 1/20 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

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
SCHEMBL2131818 1.00 CCR2 (0.45) CCR2CHRNA7HTR3ATEAD1SFRP1
SCHEMBL2133483 0.93 MCHR1 (0.44) CCR2TEAD1SFRP1CYP2D6MCHR1
SCHEMBL2731955 0.93 MCHR1 (0.44) CCR2TEAD1SFRP1CYP2D6MCHR1
SCHEMBL2720564 0.93 CHRNA7 (0.45) CCR2CHRNA7TEAD1SFRP1MAP3K12
SCHEMBL2130918 0.93 CHRNA7 (0.45) CCR2CHRNA7TEAD1SFRP1MAP3K12
SCHEMBL2131092 0.91 CCR2 (0.45) CCR2RBP4CYP2D6MCHR1
SCHEMBL2722933 0.91 CCR2 (0.45) CCR2RBP4CYP2D6MCHR1
SCHEMBL2722386 0.88 MCHR1 (0.42) CCR2CHRNA7TEAD1SFRP1CYP2D6
SCHEMBL2130863 0.88 MCHR1 (0.42) CCR2CHRNA7TEAD1SFRP1CYP2D6
SCHEMBL2132298 0.86 F2R (0.43) CHRNA7SFRP1EPHX1

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