SCHEMBL8777054

SCHEMBL8777054

O=[C]CNC1CC2CCC1C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
EPHX2 P34913 3/20 0.43
EPHX1 P07099 1/20 0.42
MAPT P10636 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
SIGMAR1 Q99720 4/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL8357133 0.77 MAPT (0.46) DPP4EPHX2EPHX1MAPTTAS1R3
Hydrochloric Acid SCHEMBL17846422 0.75 MAPT (0.44) DPP4EPHX2EPHX1MAPTTAS1R3
SCHEMBL17456133 0.73 MAPT (0.43) DPP4EPHX2EPHX1MAPTTAS1R3
SCHEMBL8040794 0.73 EPHX2 (0.44) DPP4EPHX2EPHX1MAPTTAS1R3
SCHEMBL5638126 0.72 EPHX2 (0.43) DPP4EPHX2EPHX1MAPTTAS1R3
SCHEMBL1786896 0.72 EPHX2 (0.43) DPP4EPHX2EPHX1MAPTTAS1R3
SCHEMBL5988119 0.71 DPP4 (0.55) DPP4EPHX2EPHX1MAPTTAS1R3
SCHEMBL19688352 0.69 EPHX2 (0.58) EPHX2EPHX1MAPTTAS1R3TAS1R1
SCHEMBL5590880 0.69 EPHX2 (0.58) EPHX2EPHX1MAPTTAS1R3TAS1R1
SCHEMBL5590888 0.69 EPHX2 (0.58) EPHX2EPHX1MAPTTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800513-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1997-10-15 EP disclosed
US-5605932-A Opiate receptor ligands CHIRON CORPORATION (US) 1997-02-25 US disclosed
US-5536868-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
WO-1996020921-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1996-07-11 WO disclosed
US-5481020-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-01-02 US disclosed