SCHEMBL6941023

SCHEMBL6941023

CCSC(F)(F)C1(c2ccc(F)cc2)CO1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.34
SLC6A2 P23975 2/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
SLC6A4 P31645 2/20 0.31
MAOB P27338 2/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL6940427 0.86 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4MAOBMAOA
SCHEMBL2173955 0.75 SLC6A3 (0.38) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL7886374 0.74 CHRNA1 (0.34) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL6942412 0.70 SLC6A4 (0.37) SLC6A3SLC6A2SLC6A4
SCHEMBL8445983 0.69 PDK2 (0.33)
SCHEMBL2175183 0.66 SLC6A3 (0.40) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL10463986 0.65 CHRNA1 (0.37) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL9560929 0.63 LPL (0.38) MAOBMAOA
SCHEMBL991292 0.63 SLC6A3 (0.47) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL9561216 0.62 MAOB (0.39) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927719-B1 Triazole derivative or salt thereof, preparation process thereof as well as pharmaceutical containing said compound SSP CO LTD (JP) 2003-07-23 EP disclosed
US-6204415-B1 2,2-DIFLUORO-2-ETHYLTHIOACETOPHENONE DERIVATIVES OF GIVEN FORMULA WHICH HAVE USE AS INTERMEDIATES TO ANTIMYCOTIC AGENTS SSP CO., LTD. (JP) 2001-03-20 US disclosed
US-6194592-B1 AS ANTIMYCOTIC AGENT SSP CO., LTD. (JP) 2001-02-27 US disclosed
US-6083968-A A FUNGICIDE; 1,1-DIFLUORO-1-ETHYL THIENYL OR ETHYL THIENYL OXIDES-2-(2,4-SUBSTITUTED PHENYL)-3-(1H-1,2,4-TRIA ZOL-1-YL)-2-OXY OR HYDROXY COMPOUND SSP CO., LTD. (JP) 2000-07-04 US disclosed
EP-0927719-A1 Triazole derivative or salt thereof, preparation process thereof as well as pharmaceutical containing said compound SSP Co., Ltd. (JP) 1999-07-07 EP disclosed