SCHEMBL8031355

SCHEMBL8031355

CCCC1CCC(CCc2cccc(F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
TAAR1 Q96RJ0 3/20 0.47
SLC6A3 Q01959 2/20 0.44
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL27904615 1.00 MAOA (0.57) MAOAMAOBTAAR1SLC6A3DRD2
SCHEMBL10345366 0.95 MAOA (0.53) MAOAMAOBTAAR1SLC6A3DRD2
SCHEMBL10345367 0.95 MAOA (0.53) MAOAMAOBTAAR1SLC6A3DRD2
SCHEMBL10345368 0.95 MAOA (0.53) MAOAMAOBTAAR1SLC6A3DRD2
SCHEMBL8375638 0.89 MAOA (0.53) MAOAMAOBTAAR1SLC6A3DRD2
SCHEMBL10091164 0.87 MAOA (0.57) MAOAMAOBTAAR1SLC6A3DRD2
SCHEMBL13569151 0.83 MAOA (0.59) MAOAMAOBTAAR1SLC6A3DRD2
SCHEMBL10091172 0.83 MAOA (0.53) MAOAMAOBTAAR1SLC6A3DRD2
SCHEMBL3157750 0.81 SLC6A2 (0.43) MAOAMAOBSLC6A3SLC6A4
SCHEMBL3157758 0.81 SLC6A2 (0.43) MAOAMAOBSLC6A3SLC6A4

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
CN-103805208-B Dicyclohexyl ethylene group substituted diphenylamine alkynes liquid crystalline cpd and preparation method thereof SHAANXI NORMAL UNIVERSITY (CN) 2015-08-19 CN disclosed
CN-103805208-A Dicyclohexyl ethylene group substituted diphenylacetylene liquid crystal compound and preparation method thereof UNIV SHAANXI NORMAL 2014-05-21 CN disclosed
US-6013198-A LIQUID CRYSTALLINE COMPOUNDS MODIFIED TO HAVE A TRIFLUOROMETHYLPHENYL GROUP OR TRIFLUOROMETHOXYPHENYL GROUP AS EXAMPLE OF KNOWN TERMINAL SUBSTITUENT; CHEMICAL STABILITY, HIGH VOLTAGE HOLDING RATIO, GOOD UV STABILITY CHISSO CORPORATION (JP) 2000-01-11 US disclosed
EP-0761799-A1 Liquid crystalline compound substituted with fluorine containing group, liquid crystal composition, and liquid crystal display device Chisso Corporation (JP) 1997-03-12 EP disclosed