SCHEMBL5670903

SCHEMBL5670903

CC(C)CCNCc1ccc2c(c1)CCc1cc(C(=O)O)cnc1O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
HDAC1 Q13547 1/20 0.38
SLC8A1 P32418 1/20 0.36
PDE5A O76074 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
RORC P51449 2/20 0.34
CA2 P00918 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCC4 O15439 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGER4 P35408 1/20 0.33
IDO1 P14902 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL4964149 0.91 OPRM1 (0.47) OPRM1OPRD1OPRK1HDAC1SLC8A1
SCHEMBL4963721 0.83 SLC8A1 (0.39) OPRM1OPRD1OPRK1HDAC1SLC8A1
SCHEMBL4964601 0.79 OPRM1 (0.57) OPRM1OPRD1OPRK1HDAC1PDE5A
Hydrochloric Acid SCHEMBL4968080 0.79 OPRM1 (0.56) OPRM1OPRD1OPRK1HDAC1PDE5A
SCHEMBL4965333 0.76 OPRM1 (0.54) OPRM1OPRD1OPRK1HDAC1PDE5A
SCHEMBL14369648 0.74 F2 (0.34) OPRM1OPRD1OPRK1
SCHEMBL4966800 0.73 OPRM1 (0.51) OPRM1OPRD1OPRK1HDAC1PDE5A
SCHEMBL4965646 0.73 OPRM1 (0.41) OPRM1OPRD1OPRK1HDAC1SLC8A1
SCHEMBL4968119 0.72 OPRM1 (0.40) OPRM1OPRD1OPRK1HDAC1PDE5A
Hydrochloric Acid SCHEMBL4965277 0.72 OPRM1 (0.41) OPRM1OPRD1OPRK1HDAC1SLC8A1

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
EP-1730140-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-13 EP claimed
WO-2005090337-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-29 WO claimed
EP-1730140-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-13 EP disclosed
WO-2005090337-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-29 WO disclosed