SCHEMBL2722729

SCHEMBL2722729

O=C(c1ccc(-c2ccccc2)cc1)N1CC(NC2CCN(C(=O)c3cc4ccccc4s3)C2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CAPN1 P07384 1/20 0.46
CTSB P07858 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 2/20 0.43
CHRNA7 P36544 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42

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
SCHEMBL2130422 1.00 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL2133096 0.91 PTPN2 (0.43) CA12CA1CA2CA7CA9
SCHEMBL2137444 0.91 PTPN2 (0.43) CA12CA1CA2CA7CA9
SCHEMBL2129559 0.84 EPHX1 (0.56) SMN1; SMN2ALDH1A1LMNAMEN1HPGD
SCHEMBL2130863 0.84 MCHR1 (0.42) CHRNA7
SCHEMBL2722386 0.84 MCHR1 (0.42) CHRNA7
SCHEMBL2133483 0.84 MCHR1 (0.44)
SCHEMBL2731955 0.84 MCHR1 (0.44)
SCHEMBL2132137 0.83 MEN1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL2132028 0.83 EPHX1 (0.42) CA12CA1CA2CA7CA9

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 4 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
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