SCHEMBL900645

SCHEMBL900645

CC(C)(C)OC(=O)NCCN(C(=O)c1cc2ccc(C(F)(F)F)cc2s1)C1CNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
NQO2 P16083 1/20 0.35
ACKR3 P25106 1/20 0.34
SSTR4 P31391 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CSNK1D P48730 1/20 0.33
P2RY14 Q15391 2/20 0.33
SLC6A4 P31645 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
GHSR Q92847 2/20 0.32
MGLL Q99685 1/20 0.32
DHPS P49366 1/20 0.32
ALOX5 P09917 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL867560 0.75 CHRNA7 (0.44) CHRNA7CACNA1HCACNA1BCACNA1CACKR3
SCHEMBL4654119 0.69 HDAC1 (0.52) CHRNA7CSNK1DDHPS
SCHEMBL31262863 0.69 DYRK1A (0.44) CHRNA7CSNK1DRXFP1
SCHEMBL3613052 0.68 PTPN2 (0.55) CHRNA7CSNK1D
SCHEMBL3607907 0.67 CLK1 (0.56) CHRNA7CSNK1DMGLL
SCHEMBL25811597 0.66 PTPN2 (0.43) NQO2PDE3BPDE3A
SCHEMBL7848960 0.65 CHRM4 (0.36) CACNA1HCACNA1BCACNA1CSLC6A4ACACB
SCHEMBL28350988 0.65 BCHE (0.47) CACNA1HCACNA1BCACNA1CNQO2PDE3B
SCHEMBL26108532 0.64 CA12 (0.51) NQO2ACKR3
SCHEMBL31262807 0.63 BCL2L1 (0.54) CHRNA7MGLL

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-2621918-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
WO-2012044613-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 WO disclosed