SCHEMBL6157524

SCHEMBL6157524

CCCc1ccc(C2CCc3c(F)cc(F)cc3C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.35
DRD2 P14416 6/20 0.34
DRD3 P35462 6/20 0.34
HTR1D P28221 4/20 0.33
HTR1B P28222 4/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL6158197 0.85 SPHK1 (0.35) SPHK1DRD2DRD3HTR1DHTR1B
SCHEMBL6156737 0.82 HTR1D (0.51) SPHK1DRD2DRD3HTR1DHTR1B
SCHEMBL6156873 0.79 HTR1D (0.31) SPHK1HTR1DHTR1B
SCHEMBL9433023 0.76 SPHK1 (0.39) SPHK1
SCHEMBL14228674 0.74 SPHK1 (0.33) SPHK1DRD2DRD3HTR1DHTR1B
SCHEMBL7796703 0.73 SPHK1 (0.46) SPHK1HTR2C
SCHEMBL6157715 0.72 DRD3 (0.44) DRD2DRD3HTR1DHTR1BHTR2C
SCHEMBL6156696 0.71 MCHR1 (0.40) DRD2DRD3HTR1DHTR1BHTR2C
SCHEMBL14525751 0.70 CHKA (0.34) DRD2DRD3
SCHEMBL6160441 0.70 DRD3 (0.43) DRD2DRD3HTR1DHTR1BHTR2C

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