SCHEMBL4964656

SCHEMBL4964656

NC(=O)c1cnc(Oc2ccc(CNCCC3CCOCC3)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.44
OPRD1 P41143 7/20 0.44
OPRK1 P41145 7/20 0.44
SLC8A1 P32418 6/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
P2RX3 P56373 2/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIN1 Q05586 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
ROCK1 Q13464 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MCHR1 Q99705 1/20 0.38
ICAM1 P05362 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
SCHEMBL4966455 0.95 SLC8A1 (0.42) OPRM1OPRD1OPRK1SLC8A1ACACB
SCHEMBL4966445 0.85 SLC8A1 (0.42) SLC8A1
SCHEMBL4965288 0.83 OPRM1 (0.46) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL4965195 0.80 P2RX3 (0.45) OPRM1OPRD1OPRK1SLC8A1P2RX3
SCHEMBL3705019 0.80 OPRM1 (0.47) OPRM1OPRD1OPRK1ACACBP2RX3
SCHEMBL3692196 0.80 OPRM1 (0.63) OPRM1OPRD1OPRK1P2RX3GRIN2D
SCHEMBL4963822 0.78 P2RX3 (0.45) OPRM1OPRD1OPRK1SLC8A1ACACB
SCHEMBL4963417 0.78 P2RX3 (0.49) OPRM1OPRD1OPRK1P2RX3GRIN2D
SCHEMBL4964063 0.77 OPRM1 (0.53) OPRM1OPRD1OPRK1P2RX3GRIN2D
SCHEMBL14199668 0.75 OPRM1 (0.46) OPRM1OPRD1OPRK1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606275-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-27 EP claimed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US claimed
EP-1606275-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-12-21 EP claimed
WO-2004080996-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 WO claimed
EP-1606275-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-27 EP disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
EP-1606275-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-12-21 EP disclosed
WO-2004080996-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 WO disclosed