SCHEMBL436798

SCHEMBL436798

C[CH]CCc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.56
AOC3 Q16853 1/20 0.50
IDO1 P14902 2/20 0.47
MPO P05164 3/20 0.42
MEN1 O00255 1/20 0.39
EPHX2 P34913 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 2/20 0.39
DAO P14920 1/20 0.39
HPGD P15428 1/20 0.39
SLC6A4 P31645 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL27455994 0.79 TAAR1 (0.52) TAAR1AOC3IDO1MPOMEN1
SCHEMBL12478612 0.78 TAAR1 (0.56) TAAR1AOC3IDO1MPOMAOB
SCHEMBL2556909 0.78 TAAR1 (0.56) TAAR1AOC3IDO1MPODAO
SCHEMBL29373563 0.78 TAAR1 (0.56) TAAR1AOC3IDO1MPODAO
SCHEMBL28344566 0.78 TAAR1 (0.56) TAAR1AOC3IDO1MPOMAOB
SCHEMBL7563209 0.78 TAAR1 (0.56) TAAR1AOC3IDO1MPOMAOB
SCHEMBL8526001 0.78 TAAR1 (0.75) TAAR1AOC3IDO1MPOMAOB
SCHEMBL5316677 0.77 TAAR1 (0.48) TAAR1AOC3IDO1MEN1KMT2A
SCHEMBL9346870 0.76 DAO (0.38) TAAR1AOC3DAOHPGDSLC6A4
SCHEMBL2372931 0.76 TAAR1 (0.56) TAAR1KMT2ADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160036-A ADRENERGIC STIMULANTS ALLEN & HANBURYS LIMITED (GB) 1979-07-03 US claimed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2547665-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2013-01-23 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2011113756-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-09-22 WO disclosed
CN-1119337-C Substituted 2, 4-diamino-1, 3, 5-triazines as herbicides BAYER AG (DE) 2003-08-27 CN disclosed
CN-1239955-A Substituted 2, 4-diamino-1, 3, 5-triazines as herbicides BAYER AG (DE) 1999-12-29 CN disclosed
CN-1239957-A Substituting 2-amino-4-alkylamino-1,3,5-triazine as herbicide BAYER AG (DE) 1999-12-29 CN disclosed
EP-0934285-A1 SUBSTITUTING 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AG (DE) 1999-08-11 EP disclosed
WO-1998015539-A1 SUBSTITUTING 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed
US-4160036-A ADRENERGIC STIMULANTS ALLEN & HANBURYS LIMITED (GB) 1979-07-03 US disclosed