SCHEMBL7697256

SCHEMBL7697256

CC[C@H](C)COc1ccccc1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
MAOA P21397 1/20 0.52
HTR2B P41595 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TLR8 Q9NR97 1/20 0.44
MCHR1 Q99705 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
CASR P41180 2/20 0.42

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
SCHEMBL7697257 1.00 HTR1A (0.52) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL5985012 0.85 HTR1A (0.55) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL1667585 0.84 HTR1A (0.56) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL15677583 0.82 HTR1A (0.66) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL5649980 0.82 TLR8 (0.54) ALDH1A1TLR8MCHR1TSHRADRB2
SCHEMBL8682016 0.81 MAOA (0.54) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL8682019 0.81 MAOA (0.54) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL6456134 0.81 HTR1A (0.61) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL27736563 0.81 HTR1A (0.61) HTR1AADRA2AADRA2BMAOAHTR2B
Hydrochloric Acid SCHEMBL7423104 0.80 MAOA (0.52) HTR1AADRA2AADRA2BMAOAHTR2B

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