SCHEMBL9064841

SCHEMBL9064841

CCOCCCCN1CCC(C(=O)OCC)(c2ccccc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 3/20 0.73
OPRM1 P35372 8/20 0.71
OPRD1 P41143 6/20 0.71
OPRK1 P41145 6/20 0.71
SLC22A1 O15245 1/20 0.67
SLC6A4 P31645 1/20 0.67
ADRA1A P35348 1/20 0.67
KCNH2 Q12809 1/20 0.67
GAA P10253 1/20 0.59
KDM4E B2RXH2 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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 SCHEMBL9064487 0.99 KCNA3 (0.72) KCNA3OPRM1OPRD1OPRK1SLC22A1
Hydrochloric Acid SCHEMBL9064917 0.88 KCNA3 (0.57) KCNA3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL11708747 0.88 KCNA3 (0.80) KCNA3OPRM1OPRD1OPRK1SLC22A1
Hydrochloric Acid SCHEMBL9064512 0.87 OPRM1 (0.75) KCNA3OPRM1OPRD1OPRK1SLC22A1
Etoxeridine SCHEMBL908077 0.86 OPRM1 (0.71) KCNA3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL6197539 0.86 KCNA3 (0.77) KCNA3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL11712840 0.85 OPRM1 (0.82) KCNA3OPRM1OPRD1OPRK1SLC22A1
Benzethidine SCHEMBL908032 0.85 KCNA3 (0.76) KCNA3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL7313939 0.85 KCNA3 (1.00) KCNA3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL11601769 0.84 OPRM1 (0.80) KCNA3OPRM1OPRD1OPRK1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506778-B1 SUBSTITUTED 4-PHENYL-4-PIPERIDINECARBOXAMIDES WITH BOTH LOCAL ANAESTHETIC AND ANALGESIC EFFECT AS WELL AS PROCESSES FOR THEIR PREPARATION ASTRA AB (SE) 1996-05-29 EP disclosed