SCHEMBL7490969

SCHEMBL7490969

O=C1CCN(C2(c3ccccc3)CCCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.68
GRIN1 Q05586 2/20 0.68
GRIN2A Q12879 2/20 0.68
GRIN2B Q13224 2/20 0.68
GRIN2D O15399 1/20 0.68
GRIN3B O60391 1/20 0.68
CYP2B6 P20813 1/20 0.68
SLC6A2 P23975 1/20 0.68
SLC6A4 P31645 1/20 0.68
PRCP P42785 1/20 0.68
SLC6A3 Q01959 1/20 0.68
KCNH2 Q12809 1/20 0.68
GRIN2C Q14957 1/20 0.68
GRIN3A Q8TCU5 1/20 0.68
OPRM1 P35372 8/20 0.66
OPRD1 P41143 1/20 0.66
SLC6A9 P48067 9/20 0.52
OPRL1 P41146 2/20 0.52
MEN1 O00255 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL7489860 0.98 GRIN1 (0.71) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL7095191 0.98 GRIN1 (0.71) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL7493298 0.98 GRIN1 (0.71) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL7493886 0.93 SIGMAR1 (0.56) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL2203974 0.86 GRIN1 (0.68) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL733277 0.86 GRIN1 (0.62) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL9431836 0.84 GRIN1 (0.71) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
Ethylene SCHEMBL11093647 0.83 GRIN1 (0.64) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
Rolicyclidine SCHEMBL517928 0.81 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL9153279 0.81 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D

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 4 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
EP-1049689-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2000-11-08 EP disclosed
WO-1999036421-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-22 WO disclosed