SCHEMBL7488253

SCHEMBL7488253

CC(=O)n1c(=O)n(C2CCN(C3(c4ccccc4)CCCCCC3)CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP2B6 P20813 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
PRCP P42785 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GRIN1 Q05586 1/20 0.46
KCNH2 Q12809 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
OPRM1 P35372 9/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 3/20 0.45
OGFRL1 Q5TC84 3/20 0.45
OPRL1 P41146 6/20 0.44
SLC6A9 P48067 1/20 0.42

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
SCHEMBL7492378 0.84 GRIN2D (0.50) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL7492753 0.81 OPRL1 (0.48) OPRM1OPRK1OPRL1
SCHEMBL7493094 0.79 C5AR1 (0.58) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL7489304 0.79 CACNA1G (0.51) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL7489124 0.78 CACNA1G (0.47) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL7493212 0.78 CYP2D6 (0.49) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL7495757 0.78 OPRL1 (0.48) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL3612375 0.78 OPRM1 (0.61) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL6834480 0.77 CACNA1G (0.52) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7490044 0.77 OPRM1 (0.47) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4

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
US-6423725-B1 ANALGESICS PFIZER INC 2002-07-23 US disclosed
EP-1049689-B1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER (US) 2002-06-26 EP disclosed