SCHEMBL7995855

SCHEMBL7995855

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

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.65
DRD2 P14416 4/20 0.52
DRD4 P21917 4/20 0.52
DRD3 P35462 4/20 0.52
OPRM1 P35372 11/20 0.52
OPRD1 P41143 11/20 0.52
OPRK1 P41145 11/20 0.52

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
SCHEMBL5102059 0.91 OPRL1 (0.65) OPRL1DRD2DRD4DRD3OPRM1
SCHEMBL5098400 0.91 OPRL1 (0.65) OPRL1DRD2DRD4DRD3OPRM1
SCHEMBL5102055 0.91 OPRL1 (0.65) OPRL1DRD2DRD4DRD3OPRM1
SCHEMBL7999928 0.89 OPRL1 (0.67) OPRL1DRD2DRD4DRD3OPRM1
SCHEMBL5108236 0.86 OPRL1 (0.66) OPRL1DRD2DRD4DRD3OPRM1
Hydrochloric Acid SCHEMBL7982541 0.85 OPRL1 (0.65) OPRL1DRD2DRD4DRD3OPRM1
SCHEMBL7759234 0.85 OPRL1 (0.63) OPRL1DRD2DRD4DRD3OPRM1
SCHEMBL5095207 0.85 OPRL1 (0.63) OPRL1DRD2DRD4DRD3OPRM1
SCHEMBL7996529 0.84 OPRL1 (0.69) OPRL1DRD2DRD4DRD3OPRM1
Trifluoroacetic Acid SCHEMBL7996651 0.84 OPRL1 (0.62) OPRL1DRD2DRD4DRD3OPRM1

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