SCHEMBL8523550

SCHEMBL8523550

O=C(O)N1CCC[C@@]12CCNC2=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 1/20 0.36
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
SLC6A9 P48067 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OTUD7B Q6GQQ9 1/20 0.32
DRD2 P14416 2/20 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
SCHEMBL30310728 1.00 GRIN1 (0.36) GRIN1GRIN2AGRIN2BOPRM1OPRL1
SCHEMBL21225273 0.93 GRIN1 (0.38) GRIN1GRIN2AGRIN2BOPRM1OPRL1
SCHEMBL21225643 0.88 GRIN1 (0.37) GRIN1GRIN2AGRIN2BOPRM1OPRL1
SCHEMBL21225471 0.88 GRIN1 (0.40) GRIN1GRIN2AGRIN2BOPRM1OPRL1
SCHEMBL9234226 0.88 OPRM1 (0.34) GRIN1GRIN2AGRIN2BOPRM1OPRL1
SCHEMBL16751001 0.85 GRIN1 (0.32) GRIN1GRIN2AGRIN2BOTUD7B
SCHEMBL22834163 0.84 OPRM1 (0.34) OPRM1OPRL1SLC6A9
Water SCHEMBL29623096 0.83 OPRM1 (0.33) OPRM1OPRL1SLC6A9
SCHEMBL9948790 0.83 HSD17B10 (0.43) HSD17B10
SCHEMBL24339081 0.81 GRIN1 (0.30) GRIN1GRIN2AGRIN2B

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-1999007413-A1 SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1999-02-18 WO disclosed