SCHEMBL7757086

SCHEMBL7757086

O=C1NCN(c2ccccc2)C12CCN(Cc1cccc3ccccc13)CC2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 13/20 0.72
▸ OPRM1 P35372 11/20 0.72
▸ OPRD1 P41143 11/20 0.72
▸ OPRK1 P41145 11/20 0.72
▸ DRD3 P35462 5/20 0.60
▸ CACNA1F O60840 2/20 0.60
▸ CACNA1D Q01668 2/20 0.60
▸ CACNA1S Q13698 2/20 0.60
▸ CACNA1C Q13936 2/20 0.60
▸ SIGMAR1 Q99720 2/20 0.60
▸ DRD4 P21917 4/20 0.60
▸ DRD2 P14416 4/20 0.60
▸ HRH1 P35367 2/20 0.60
▸ ADRA1D P25100 2/20 0.60
▸ ADRA1A P35348 2/20 0.60
▸ ADRA1B P35368 2/20 0.60
▸ CHRM2 P08172 1/20 0.60
▸ ADRB1 P08588 1/20 0.60
▸ SLC6A2 P23975 1/20 0.60
▸ SLC6A3 Q01959 1/20 0.60

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
SCHEMBL3895655 0.91 OPRM1 (0.61) OPRL1OPRM1OPRD1OPRK1DRD3
SCHEMBL10736433 0.84 OPRL1 (0.75) OPRL1OPRM1OPRD1OPRK1DRD3
SCHEMBL5248548 0.83 OPRL1 (0.73) OPRL1OPRM1OPRD1OPRK1DRD3
SCHEMBL7847623 0.82 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1DRD3
SCHEMBL5248493 0.81 OPRL1 (0.71) OPRL1OPRM1OPRD1OPRK1DRD3
SCHEMBL5925337 0.80 OPRL1 (0.69) OPRL1OPRM1OPRD1OPRK1DRD3
SCHEMBL5925355 0.80 OPRL1 (0.69) OPRL1OPRM1OPRD1OPRK1DRD3
SCHEMBL6571230 0.80 OPRL1 (0.69) OPRL1OPRM1OPRD1OPRK1DRD3
SCHEMBL7757055 0.80 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1DRD3
SCHEMBL7848856 0.80 OPRL1 (0.76) OPRL1OPRM1OPRD1OPRK1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277991-B1 FOR TREATMENT OF MIGRAINE, NON-INSULIN DEPENDENT DIABETES MELLITUS, SEPSIS, INFLAMMATION, INCONTINENCE, VASOMOTOR DISTURBANCES SUCH AS HOT FLUSHES OR HOT FLASHES NOVO NORDISK A/S (DK) 2001-08-21 — — US disclosed
EP-1080091-A1 NOVEL 1,3,8-TRIAZASPIRO[4.5]DECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES Novo Nordisk A/S (DK) 2001-03-07 — — EP disclosed
WO-1999059997-A1 NOVEL 1,3,8-TRIAZASPIRO[4.5]DECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES NOVO NORDISK A/S (DK) 1999-11-25 — — WO disclosed
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