SCHEMBL18878759

SCHEMBL18878759

CCCCOc1ccc2c(c1OS(=O)(=O)C(F)(F)F)[C@@]1(C)CC(=O)CC[C@H]1[C@H](N(C)CC)C2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.35
DRD3 P35462 4/20 0.35
HTR1D P28221 3/20 0.35
DRD4 P21917 1/20 0.33
OPRD1 P41143 1/20 0.32

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
SCHEMBL18878753 0.82 GAA (0.40) DRD2DRD3DRD4OPRD1
SCHEMBL16454918 0.77 GAA (0.54) DRD2OPRD1
SCHEMBL18878785 0.69 OPRM1 (0.65) OPRD1
SCHEMBL18878761 0.65 GAA (0.53) OPRD1
SCHEMBL16444882 0.65 GAA (0.53) OPRD1
SCHEMBL18878843 0.65 DRD2 (0.38) DRD2DRD3HTR1DDRD4
SCHEMBL18994792 0.65 OPRM1 (0.38) DRD2DRD3HTR1DDRD4
SCHEMBL16445412 0.64 GAA (0.67) DRD2OPRD1
SCHEMBL21599894 0.61 DRD2 (0.33) DRD2DRD3DRD4
SCHEMBL5019530 0.60 GAA (0.43)

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 2 patents. 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
US-9656961-B2 Methods for treating depressive symptoms ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-23 US disclosed