SCHEMBL8018565

SCHEMBL8018565

CCCC1CCC(CCc2ccc(I)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GPR84 Q9NQS5 1/20 0.33
CYP2C9 P11712 1/20 0.33
BACE1 P56817 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL8146444 0.86 SLC6A2 (0.42) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8961286 0.86 SLC6A2 (0.42) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL10479865 0.84 SLC6A2 (0.41) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL10479867 0.84 SLC6A2 (0.41) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL9809556 0.83 MAOB (0.40) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8857752 0.82 PROKR1 (0.37) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL4798580 0.82 SLC6A2 (0.40) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL4798556 0.82 SLC6A2 (0.40) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL4798573 0.82 SLC6A2 (0.40) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8771449 0.82 SLC6A2 (0.40) MAOBMAOASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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