SCHEMBL18994792

SCHEMBL18994792

CCN(C)[C@@H]1Cc2ccc(OS(=O)(=O)C(F)(F)F)c3c2[C@]2(C)[C@H]1CCC1(OCCO1)[C@@H]2O3

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.38
DRD2 P14416 4/20 0.35
DRD3 P35462 3/20 0.33
HTR1D P28221 2/20 0.33
HCRTR1 O43613 1/20 0.32
OPRK1 P41145 1/20 0.32
DRD4 P21917 1/20 0.31

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
SCHEMBL19787544 0.75 HCRTR1 (0.33) HCRTR1
SCHEMBL25195426 0.74 OPRD1 (0.49) OPRM1OPRK1
SCHEMBL30395153 0.74 OPRD1 (0.49) OPRM1OPRK1
SCHEMBL18878836 0.74 OPRD1 (0.49) OPRM1OPRK1
SCHEMBL16445075 0.74 OPRD1 (0.49) OPRM1OPRK1
SCHEMBL18878843 0.70 DRD2 (0.38) DRD2DRD3HTR1DDRD4
SCHEMBL20306868 0.67 HCRTR1 (0.55) OPRM1HCRTR1OPRK1
SCHEMBL10072676 0.67 HCRTR1 (0.55) OPRM1HCRTR1OPRK1
SCHEMBL10072236 0.67 HCRTR1 (0.53) OPRM1HCRTR1OPRK1
SCHEMBL20306867 0.67 HCRTR1 (0.53) OPRM1HCRTR1OPRK1

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-9682936-B2 Morphan and morphinan analogues, and methods of use ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-20 US disclosed