SCHEMBL7757095

SCHEMBL7757095

COC(=O)CN1CN(c2ccccc2)C2(CCN(CCc3cccc4ccccc34)CC2)C1=O

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.83
MEN1 O00255 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
KMT2A Q03164 1/20 0.64
OPRM1 P35372 11/20 0.56
OPRK1 P41145 3/20 0.56
BDKRB2 P30411 1/20 0.52
NPC1L1 Q9UHC9 1/20 0.47
OPRD1 P41143 3/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL7757872 0.91 OPRL1 (1.00) OPRL1MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL29766745 0.91 OPRL1 (1.00) OPRL1MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL7757882 0.86 MEN1 (0.69) OPRL1MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL7754154 0.82 MEN1 (0.67) OPRL1MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL7982648 0.82 OPRL1 (0.77) OPRL1MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL7999876 0.81 OPRL1 (0.82) OPRL1MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL7992809 0.81 OPRL1 (0.75) OPRL1MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL7982553 0.81 OPRL1 (0.78) OPRL1MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL7757108 0.81 OPRL1 (0.64) OPRL1MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL7754117 0.80 OPRL1 (0.81) OPRL1MEN1CYP3A4CYP2D6CYP2C9

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