SCHEMBL6156737

SCHEMBL6156737

CCCc1ccc(C2CCc3cc(F)ccc3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
DRD3 P35462 12/20 0.41
DRD2 P14416 9/20 0.41
MCHR1 Q99705 4/20 0.37
KCNH2 Q12809 4/20 0.37
HTR2C P28335 1/20 0.37
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL6157524 0.82 SPHK1 (0.35) HTR1DHTR1BDRD3DRD2HTR2C
SCHEMBL6157715 0.82 DRD3 (0.44) HTR1DHTR1BDRD3DRD2HTR2C
SCHEMBL6156696 0.80 MCHR1 (0.40) HTR1DHTR1BDRD3DRD2MCHR1
SCHEMBL6160441 0.80 DRD3 (0.43) HTR1DHTR1BDRD3DRD2HTR2C
SCHEMBL6159141 0.78 DRD2 (0.44) DRD3DRD2
SCHEMBL6158197 0.76 SPHK1 (0.35) HTR1DHTR1BDRD3DRD2SPHK1
SCHEMBL9433023 0.75 SPHK1 (0.39) SPHK1
SCHEMBL14228674 0.74 SPHK1 (0.33) HTR1DHTR1BDRD3DRD2SPHK1
SCHEMBL6156873 0.71 HTR1D (0.31) HTR1DHTR1BSPHK1
SCHEMBL11166462 0.70 SPHK1 (0.36) SIGMAR1SPHK1

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