SCHEMBL8934441

SCHEMBL8934441

CN(CCOC1c2ccccc2N(C)S(=O)(=O)c2ccccc21)CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
OPRD1 P41143 1/20 0.43
LTA4H P09960 4/20 0.38
RET P07949 1/20 0.36
EGFR P00533 1/20 0.34
NPC1 O15118 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL8934439 0.94 NR1I2 (0.44) NR1I2OPRM1DRD3OPRD1LTA4H
SCHEMBL8934341 0.81 LTA4H (0.40) LTA4HRETEGFRMAPTKMT2A
SCHEMBL9080768 0.77 LTA4H (0.46) OPRM1LTA4HRETKMT2A
SCHEMBL9233985 0.75 LTA4H (0.45) LTA4H
SCHEMBL8934348 0.75 SLC6A4 (0.39) LTA4HRETEGFRMAPTKMT2A
SCHEMBL9230216 0.73 SMN1; SMN2 (0.43) LTA4H
SCHEMBL8934367 0.73 LTA4H (0.42) LTA4HRETKMT2A
SCHEMBL9229546 0.71 GRIN2B (0.34) NR1I2OPRM1DRD3OPRD1
SCHEMBL8934363 0.71 MTNR1A (0.41) LTA4HRETKMT2A
SCHEMBL9081168 0.71 HTR2C (0.47) LTA4HRET

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
WO-1996031480-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO claimed