SCHEMBL2452336

SCHEMBL2452336

COC(=O)CNC(=S)NC[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.50
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
AHCY P23526 2/20 0.37
APP P05067 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
HRH2 P25021 1/20 0.37
HTR1D P28221 1/20 0.37

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
SCHEMBL2455745 0.90 OPRD1 (0.48) OPRD1FPR3FPR2SMN1; SMN2KDM1A
SCHEMBL337262 0.85 SMN1; SMN2 (0.45) OPRD1FPR3FPR2SMN1; SMN2KDM1A
SCHEMBL9354741 0.85 SMN1; SMN2 (0.45) OPRD1FPR3FPR2SMN1; SMN2KDM1A
SCHEMBL2452730 0.82 OPRD1 (0.47) OPRD1FPR3FPR2SMN1; SMN2KDM1A
SCHEMBL1483725 0.81 OPRD1 (0.51) OPRD1FPR3FPR2SMN1; SMN2KDM1A
SCHEMBL23607634 0.80 OPRD1 (0.48) OPRD1FPR3FPR2SMN1; SMN2KDM1A
SCHEMBL1779025 0.79 SMN1; SMN2 (0.45) OPRD1FPR3FPR2SMN1; SMN2KDM1A
SCHEMBL863388 0.79 SMN1; SMN2 (0.45) OPRD1FPR3FPR2SMN1; SMN2KDM1A
SCHEMBL20410 0.79 SMN1; SMN2 (0.45) OPRD1FPR3FPR2SMN1; SMN2KDM1A
SCHEMBL13853607 0.79 OPRD1 (0.54) OPRD1FPR3FPR2SMN1; SMN2KDM1A

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-2366700-A1 Pyrrolidine-thioxopyrimidinone/thiohydantoin organocatolysts National and Kapodistrian Universty of Athens (GR) 2011-09-21 EP disclosed
EP-2366700-A1 Pyrrolidine-thioxopyrimidinone/thiohydantoin organocatolysts National and Kapodistrian Universty of Athens (GR) 2011-09-21 EP disclosed