SCHEMBL7754142

SCHEMBL7754142

CCN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.74
OPRM1 P35372 11/20 0.57
OPRD1 P41143 11/20 0.57
OPRK1 P41145 11/20 0.57
DRD2 P14416 5/20 0.53
DRD3 P35462 5/20 0.53
DRD4 P21917 4/20 0.53
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
KMT2A Q03164 1/20 0.51
DPP8 Q6V1X1 1/20 0.50
BDKRB2 P30411 1/20 0.47

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
SCHEMBL7754117 0.88 OPRL1 (0.81) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL7992800 0.86 OPRL1 (0.78) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL7999928 0.86 OPRL1 (0.67) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL29766745 0.85 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL7757872 0.85 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL5108236 0.85 OPRL1 (0.66) OPRL1OPRM1OPRD1OPRK1DRD2
Hydrochloric Acid SCHEMBL7982541 0.85 OPRL1 (0.65) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL5098400 0.84 OPRL1 (0.65) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL5102059 0.84 OPRL1 (0.65) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL5102055 0.84 OPRL1 (0.65) 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 4 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 claimed
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 claimed
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 claimed
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