SCHEMBL7999928

SCHEMBL7999928

O=C1N(CCCCl)CN(c2ccccc2)C12CCN(Cc1cccc3ccccc13)CC2

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.67
OPRM1 P35372 13/20 0.56
OPRK1 P41145 13/20 0.56
OPRD1 P41143 12/20 0.56
DRD2 P14416 4/20 0.54
DRD4 P21917 4/20 0.54
DRD3 P35462 4/20 0.54

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
SCHEMBL5102055 0.89 OPRL1 (0.65) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL7995855 0.89 OPRL1 (0.65) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL5102059 0.89 OPRL1 (0.65) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL5098400 0.89 OPRL1 (0.65) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL5108236 0.88 OPRL1 (0.66) OPRL1OPRM1OPRK1OPRD1DRD2
Hydrochloric Acid SCHEMBL7982541 0.87 OPRL1 (0.65) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL7754142 0.86 OPRL1 (0.74) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL7992800 0.84 OPRL1 (0.78) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL7754117 0.84 OPRL1 (0.81) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL7992870 0.83 OPRL1 (0.70) OPRL1OPRM1OPRK1OPRD1DRD2

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 1 patent. 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