SCHEMBL7489124

SCHEMBL7489124

NCCn1c(=O)n(C2CCN(C3(c4ccccc4)CCCCCC3)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.47
CACNA1H O95180 3/20 0.47
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 11/20 0.45
OPRL1 P41146 11/20 0.45
OPRK1 P41145 2/20 0.45
OPRD1 P41143 1/20 0.45

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
Hydrochloric Acid SCHEMBL7490044 0.99 OPRM1 (0.47) CACNA1GCACNA1HGRIN2DGRIN3BCYP2B6
Hydrochloric Acid SCHEMBL7492871 0.93 CACNA1G (0.50) CACNA1GCACNA1HGRIN2DGRIN3BCYP2B6
SCHEMBL6838232 0.92 CACNA1G (0.52) CACNA1GCACNA1HGRIN2DGRIN3BCYP2B6
Hydrochloric Acid SCHEMBL7544584 0.91 CACNA1G (0.51) CACNA1GCACNA1HGRIN2DGRIN3BCYP2B6
SCHEMBL6840940 0.90 CACNA1G (0.47) CACNA1GCACNA1HKCNH2OPRM1OPRL1
Hydrochloric Acid SCHEMBL7484529 0.89 CACNA1G (0.46) CACNA1GCACNA1HKCNH2OPRM1OPRL1
SCHEMBL6834480 0.88 CACNA1G (0.52) CACNA1GCACNA1HGRIN2DGRIN3BCYP2B6
SCHEMBL7491980 0.87 CACNA1G (0.46) CACNA1GCACNA1HGRIN2DGRIN3BCYP2B6
SCHEMBL7489304 0.87 CACNA1G (0.51) CACNA1GCACNA1HGRIN2DGRIN3BCYP2B6
SCHEMBL7495757 0.86 OPRL1 (0.48) CACNA1GCACNA1HGRIN2DGRIN3BCYP2B6

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 claimed
EP-1049689-B1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER (US) 2002-06-26 EP claimed
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