SCHEMBL4404563

SCHEMBL4404563

CCC[C@H]1CC[C@H](C2Cc3cccc(F)c3C2(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.35
DRD3 P35462 7/20 0.35
FYN P06241 1/20 0.33
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
OPRL1 P41146 4/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 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
SCHEMBL13407519 1.00 DRD2 (0.35) DRD2DRD3FYNHTR1AHTR7
SCHEMBL16995031 1.00 DRD2 (0.35) DRD2DRD3FYNHTR1AHTR7
SCHEMBL13389234 1.00 DRD2 (0.35) DRD2DRD3FYNHTR1AHTR7
SCHEMBL13635239 0.99 DRD2 (0.34) DRD2DRD3FYNHTR1AHTR7
SCHEMBL13389237 0.92 DRD2 (0.38) DRD2DRD3HTR1AHTR7
SCHEMBL13407669 0.92 DRD2 (0.38) DRD2DRD3HTR1AHTR7
SCHEMBL16995028 0.92 DRD2 (0.38) DRD2DRD3HTR1AHTR7
SCHEMBL13389639 0.91 DRD2 (0.37) DRD2DRD3HTR1AHTR7
SCHEMBL16995027 0.91 DRD2 (0.37) DRD2DRD3HTR1AHTR7
SCHEMBL10005518 0.86

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140362335-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS LC VISION, LLC (US) 2014-12-11 US disclosed
US-20140362335-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS LC VISION, LLC (US) 2014-12-11 US disclosed
US-8834742-B2 Polymer-doped vertically-aligned nematic liquid crystals CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-16 US disclosed
US-8834742-B2 Polymer-doped vertically-aligned nematic liquid crystals CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-16 US disclosed
US-20120105791-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS NATIONAL SCIENCE FOUNDATION 2012-05-03 US disclosed
US-20120105791-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS NATIONAL SCIENCE FOUNDATION 2012-05-03 US disclosed