SCHEMBL17082152

SCHEMBL17082152

O=C1N([C@H]2CC[C@H](O)CC2)CC[C@@]12CCCN(c1cccc(F)c1F)C2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.40
HSD11B1 P28845 9/20 0.38
PTPN11 Q06124 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
CHRM4 P08173 1/20 0.32
NOTUM Q6P988 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MAPK1 P28482 1/20 0.31
OPRL1 P41146 1/20 0.30

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
SCHEMBL550605 1.00 SCN9A (0.40) SCN9AHSD11B1PTPN11DRD2DRD3
SCHEMBL550716 1.00 SCN9A (0.40) SCN9AHSD11B1PTPN11DRD2DRD3
SCHEMBL17082153 1.00 SCN9A (0.40) SCN9AHSD11B1PTPN11DRD2DRD3
SCHEMBL2697981 1.00 SCN9A (0.40) SCN9AHSD11B1PTPN11DRD2DRD3
SCHEMBL4570124 1.00 SCN9A (0.40) SCN9AHSD11B1PTPN11DRD2DRD3
SCHEMBL4570123 1.00 SCN9A (0.40) SCN9AHSD11B1PTPN11DRD2DRD3
SCHEMBL2699529 0.91 SCN9A (0.43) SCN9AHSD11B1DRD2NOTUM
SCHEMBL549671 0.91 SCN9A (0.43) SCN9AHSD11B1DRD2NOTUM
SCHEMBL549672 0.91 SCN9A (0.43) SCN9AHSD11B1DRD2NOTUM
SCHEMBL550118 0.91 SCN9A (0.43) SCN9AHSD11B1DRD2NOTUM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed