SCHEMBL6160441

SCHEMBL6160441

CCCc1ccc2c(c1)CCC(c1cc(F)c(F)c(F)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.43
DRD2 P14416 11/20 0.43
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
S1PR3 Q99500 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
S1PR1 P21453 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL6157715 0.88 DRD3 (0.44) DRD3DRD2HTR1DHTR1BS1PR3
SCHEMBL6156737 0.80 HTR1D (0.51) DRD3DRD2HTR1DHTR1BHTR2C
SCHEMBL6156696 0.79 MCHR1 (0.40) DRD3DRD2HTR1DHTR1BCYP3A4
SCHEMBL6159141 0.77 DRD2 (0.44) DRD3DRD2S1PR3CYP3A4CYP2C8
SCHEMBL6158197 0.75 SPHK1 (0.35) DRD3DRD2HTR1DHTR1B
SCHEMBL5684871 0.73 HTR1D (0.36) DRD3DRD2HTR1DHTR1BS1PR3
SCHEMBL11215179 0.72 CYP3A4 (0.56) DRD3DRD2S1PR3CYP3A4CYP2C8
SCHEMBL6157524 0.70 SPHK1 (0.35) DRD3DRD2HTR1DHTR1BHTR2C
SCHEMBL5684003 0.69 HTR1D (0.36) DRD3DRD2HTR1DHTR1BS1PR1
SCHEMBL5683988 0.69 HTR1D (0.36) DRD3DRD2HTR1DHTR1BS1PR1

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 4 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
JP-2001039906-A COMPOUND BEARING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL CONTAINING THE SAME DAINIPPON INK & CHEM INC 2001-02-13 JP disclosed