SCHEMBL6157650

SCHEMBL6157650

O=CC1CCc2cc(F)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
KCNH2 Q12809 4/20 0.38
HTR2C P28335 3/20 0.38
MCHR1 Q99705 3/20 0.38
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
ACHE P22303 1/20 0.38
PRMT5 O14744 1/20 0.37
SRD5A1 P18405 4/20 0.37
OPRK1 P41145 2/20 0.35
MLNR O43193 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 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
SCHEMBL27500227 0.93 HTR1D (0.41) HTR1DHTR1BKCNH2HTR2CPSEN1
SCHEMBL1016672 0.87 ACHE (0.41) HTR1DHTR1BPSEN1PSEN2APH1B
SCHEMBL27591540 0.79 HTR2A (0.43) HTR2CSRD5A1OPRK1DRD2HTR2A
SCHEMBL27493624 0.79 PNMT (0.41) SRD5A1ADRA2AADRA2BADRA2C
SCHEMBL691836 0.75 PLAU (0.52) HTR1A
SCHEMBL13929740 0.75 PLAU (0.52) HTR1A
SCHEMBL29447885 0.75 PLAU (0.52) HTR1A
SCHEMBL12472685 0.75 DGAT1 (0.48) MCHR1
SCHEMBL6952592 0.74 HTR1D (0.50) HTR1DHTR1BKCNH2HTR2CMCHR1
SCHEMBL6950353 0.74 OPRK1 (0.62) HTR1DHTR1BOPRK1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103717589-B For treating or prevent the compound of respiratory syncytial virus disease 弗·哈夫曼-拉罗切有限公司 2016-08-17 CN disclosed
CN-101300244-A Novel cercosporamide derivative DAIICHI SANKYO CO LTD (JP) 2008-11-05 CN disclosed
CN-1223561-C Compound having tetrahydronalphthalene skeleton and liquid crystal compsn. contg. same DAINIPPON INK & CHEMICALS (JP) 2005-10-19 CN disclosed
CN-1659156-A Novel guanidinobenzamides CHIRON CORP (US) 2005-08-24 CN disclosed
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
CN-1356969-A Compound having tetrahydronalphthalene skeleton and liquid crystal compsn. contg. same DAINIPPON INK & CHEMICALS (JP) 2002-07-03 CN 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