SCHEMBL8040904

SCHEMBL8040904

N#Cc1ccc(C(CC2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 2/20 0.40
EPHX1 P07099 2/20 0.40
CYP19A1 P11511 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PKM P14618 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 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
SCHEMBL11449893 0.83 TSHR (0.44) SLC6A3SLC6A2SLC6A4MAOAMAOB
SCHEMBL8038720 0.79 SLC6A2 (0.46) SLC6A3SLC6A2SLC6A4TSHRNPC1
SCHEMBL8467745 0.79 SLC6A3 (0.64) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL3966889 0.78 MEN1 (0.53) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL10453959 0.78 MEN1 (0.53) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL8039107 0.77 TSHR (0.36) SLC6A3SLC6A2SLC6A4MAOAMAOB
SCHEMBL8046455 0.77 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4MAOAMAOB
SCHEMBL10590462 0.77 TSHR (0.40) SLC6A3MAOAMAOBTSHREPHX1
SCHEMBL10590459 0.76 CYP19A1 (0.41) SLC6A3SLC6A2SLC6A4MAOAMAOB
SCHEMBL11024209 0.75 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
EP-0675187-B1 Liquid crystalline compounds and liquid crystal composition CHISSO CORP (JP) 1999-09-15 EP disclosed
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed
CN-1111671-A Liquid crystal compound and liquid crystal combinated material CHISSO CORP (JP) 1995-11-15 CN disclosed
EP-0675187-A2 Liquid crystalline compounds and liquid crystal composition Chisso Corporation (JP) 1995-10-04 EP disclosed