SCHEMBL4666910

SCHEMBL4666910

Oc1ccccc1C1CC2CCC(C1)N2CCNCC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 16/20 0.56
▸ OPRD1 P41143 16/20 0.56
▸ CHRM1 P11229 1/20 0.38

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
SCHEMBL30123241 1.00 OPRM1 (0.56) OPRM1OPRD1CHRM1
SCHEMBL30123761 0.83 OPRM1 (0.65) OPRM1OPRD1
SCHEMBL4554890 0.83 OPRM1 (0.65) OPRM1OPRD1
SCHEMBL1761203 0.80 OPRM1 (0.64) OPRM1OPRD1
SCHEMBL25237180 0.80 OPRM1 (0.61) OPRM1OPRD1
SCHEMBL1845855 0.79 OPRM1 (0.72) OPRM1OPRD1
SCHEMBL4668869 0.78 SLC6A3 (0.55) OPRM1OPRD1CHRM1
SCHEMBL1847502 0.77 OPRM1 (0.57) OPRM1OPRD1
SCHEMBL3652383 0.75 SLC18A3 (0.39) OPRM1OPRD1
SCHEMBL4666909 0.75 OPRM1 (0.41) OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001876-A2 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2008-12-17 — — EP disclosed
WO-2007103187-A2 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2007-09-13 — — WO disclosed
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