SCHEMBL7999512

SCHEMBL7999512

NCCCN(CCCN)CCCNCCCN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.58
OPRM1 P35372 14/20 0.51
OPRD1 P41143 14/20 0.51
OPRK1 P41145 14/20 0.51
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 3/20 0.47
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7992761 0.98 OPRL1 (0.57) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL7999578 0.97 OPRL1 (0.58) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL7992767 0.94 OPRL1 (0.58) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL7996361 0.91 OPRL1 (0.57) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL7995750 0.89 OPRL1 (0.60) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL7996228 0.87 OPRL1 (0.64) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL5102059 0.86 OPRL1 (0.65) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL5102055 0.86 OPRL1 (0.65) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL5098400 0.86 OPRL1 (0.65) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL5108236 0.82 OPRL1 (0.66) OPRL1OPRM1OPRD1OPRK1DRD2

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
WO-2001036418-A1 NOVEL TRIAZASPIRODECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES NOVO NORDISK A/S (DK) 2001-05-25 WO claimed
WO-2001036418-A1 NOVEL TRIAZASPIRODECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES NOVO NORDISK A/S (DK) 2001-05-25 WO disclosed