SCHEMBL7695663

SCHEMBL7695663

CC[C@H](C)COc1ccc(Br)cc1C#N

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.51
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
XDH P47989 5/20 0.41
SLC22A12 Q96S37 1/20 0.41
CYP3A4 P08684 1/20 0.39
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL7695665 1.00 AAK1 (0.51) AAK1MAOAMAOBXDHSLC22A12
SCHEMBL17155460 0.87 AAK1 (0.58) AAK1MAOAMAOBXDHSLC22A12
SCHEMBL28986747 0.87 AAK1 (0.49) AAK1MAOAMAOBXDHSLC22A12
SCHEMBL31571 0.86 AAK1 (0.57) AAK1XDHSLC22A12
SCHEMBL2641631 0.84 XDH (0.41) AAK1XDHSLC22A12CYP3A4TLR8
SCHEMBL9477443 0.82 AAK1 (0.51) AAK1MAOAMAOBXDHSLC22A12
SCHEMBL7695784 0.82 XDH (0.46) XDHSLC22A12
SCHEMBL7695785 0.82 XDH (0.46) XDHSLC22A12
SCHEMBL392560 0.81 MAOB (0.47) AAK1MAOAMAOBXDH
SCHEMBL2766658 0.81 TLR8 (0.43) AAK1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6337420-B1 NON-AROMATIC ESTER; EXHIBITS ONE OR MORE SMECTIC PHASES FOR USE IN ELECTROCLINIC DEVICES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND DEFENCE EVALUATION RESEARCH AGENCY (GB) 2002-01-08 US disclosed
US-6278028-B1 FOR ELECTROCLINIC DEVICE THE SECRETARY OF STATE FOR IN DEFENCE IN HER BRITTANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2001-08-21 US disclosed
US-6242636-B1 SEMETIC ELECTROCLINIC; LOW VOLTAGE RESULTS IN LARGE INDUCED TILT AND IMPROVED CONTRAST RATIO OR IN PHASE MODULATION; TEMPERATURE INDEPENDENT THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITIAN AND NORTHERN IRELAND OF DEFENCE EVALUATION AND RESEARCH AGENCY (GB) 2001-06-05 US disclosed
EP-0738312-B1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES SECR DEFENCE (GB) 2000-04-05 EP disclosed
US-5891358-A ELECTROCLINIC DEVICE COMPRISING TWO SPACED CELL WALLS EACH BEARING ELECTRODE STRUCTURES AND TREATED ON AT LEAST ONE FACING SURFACE WITH AN ALIGNMENT LAYER, A LAYER OF A SMECTIC LIQUID CRYSTAL MATERIAL ENCLOSED BETWEEN THE CELL WALLS SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITIAN & NORTHERN IRELAND OF DEFENCE EVALUATION & RESEARCH AGENCY (GB) 1999-04-06 US disclosed
EP-0738312-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1996-10-23 EP disclosed
WO-1995018848-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1995-07-13 WO disclosed