SCHEMBL7996529

SCHEMBL7996529

CCOC(=O)CCCCN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.69
DRD2 P14416 4/20 0.51
DRD4 P21917 4/20 0.51
DRD3 P35462 4/20 0.51
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 1/20 0.49
OPRM1 P35372 7/20 0.47
OPRD1 P41143 7/20 0.47
OPRK1 P41145 7/20 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
SCHEMBL7992870 0.97 OPRL1 (0.70) OPRL1DRD2DRD4DRD3MEN1
Hydrochloric Acid SCHEMBL7992868 0.97 OPRL1 (0.69) OPRL1DRD2DRD4DRD3MEN1
SCHEMBL7995855 0.84 OPRL1 (0.65) OPRL1DRD2DRD4DRD3OPRM1
SCHEMBL5102055 0.83 OPRL1 (0.65) OPRL1DRD2DRD4DRD3OPRM1
SCHEMBL5102059 0.83 OPRL1 (0.65) OPRL1DRD2DRD4DRD3OPRM1
SCHEMBL5098400 0.83 OPRL1 (0.65) OPRL1DRD2DRD4DRD3OPRM1
SCHEMBL7999928 0.82 OPRL1 (0.67) OPRL1DRD2DRD4DRD3OPRM1
SCHEMBL7754142 0.82 OPRL1 (0.74) OPRL1DRD2DRD4DRD3MEN1
SCHEMBL29766745 0.82 OPRL1 (1.00) OPRL1DRD2DRD4DRD3MEN1
SCHEMBL7757872 0.82 OPRL1 (1.00) OPRL1DRD2DRD4DRD3MEN1

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