SCHEMBL6156873

SCHEMBL6156873

CCCc1ccc(C2CCc3c(cc(F)c(C#N)c3F)C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SPHK1 Q9NYA1 2/20 0.31
GRM2 Q14416 2/20 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
SCHEMBL6158197 0.86 SPHK1 (0.35) HTR1DHTR1BSPHK1
SCHEMBL14228674 0.83 SPHK1 (0.33) HTR1DHTR1BSPHK1
SCHEMBL6157524 0.79 SPHK1 (0.35) HTR1DHTR1BSPHK1
SCHEMBL10896984 0.77 SPHK1 (0.43) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL7782680 0.75 ALDH1A1 (0.39) HTR1DHTR1BALDH1A1MAPT
SCHEMBL7796703 0.75 SPHK1 (0.46) ALDH1A1SPHK1
SCHEMBL9433023 0.73 SPHK1 (0.39) SPHK1
SCHEMBL14525542 0.73 ALDH1A1 (0.39) HTR1DHTR1BMEN1ALDH1A1MAPT
SCHEMBL6156737 0.71 HTR1D (0.51) HTR1DHTR1BSPHK1
SCHEMBL24225349 0.70 CYP3A4 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1191008-B1 COMPOUND HAVING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DAINIPPON INK & CHEMICALS (JP) 2005-02-09 EP disclosed
US-6746728-B1 SUPERIOR LIQUID CRYSTALLINITY AND CO-SOLUBILITY WITH CURRENTLY USED LIQUID CRYSTAL COMPOUNDS; TEMPERATURE RANGE OVER WHICH LIQUID CRYSTALLINITY IS SHOWN IS BROAD; THRESHOLD VOLTAGE IS LOW; CAPABLE OF HIGH SPEED RESPONSE DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-06-08 US disclosed
EP-1191008-A1 COMPOUND HAVING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-03-27 EP disclosed