SCHEMBL6232017

SCHEMBL6232017

NCCCCCc1ccccc1F

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.68
MPO P05164 5/20 0.50
SLC6A4 P31645 2/20 0.50
AOC3 Q16853 1/20 0.50
MAOA P21397 1/20 0.50
IDO1 P14902 2/20 0.47
MAOB P27338 3/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL15663052 0.98 TAAR1 (0.71) TAAR1MPOSLC6A4AOC3MAOA
SCHEMBL1287446 0.91 TAAR1 (0.74) TAAR1MPOSLC6A4AOC3MAOA
SCHEMBL26077417 0.86 MAOA (0.58) TAAR1MPOSLC6A4MAOAHRH1
SCHEMBL30660239 0.84 TAAR1 (0.68) TAAR1MPOSLC6A4AOC3IDO1
SCHEMBL3680377 0.84 MAOA (0.61) TAAR1MPOSLC6A4MAOAHRH1
SCHEMBL28243792 0.82 TAAR1 (0.67) TAAR1MPOSLC6A4AOC3IDO1
SCHEMBL158935 0.81 TAAR1 (1.00) TAAR1MPOSLC6A4AOC3IDO1
SCHEMBL29401035 0.81 TAAR1 (1.00) TAAR1MPOSLC6A4AOC3IDO1
SCHEMBL863377 0.81 TAAR1 (0.54) TAAR1MPOSLC6A4AOC3IDO1
SCHEMBL19391589 0.81 TAAR1 (0.54) TAAR1MPOSLC6A4AOC3IDO1

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
EP-1530562-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME Central Glass Company, Limited (JP) 2005-05-18 EP disclosed
WO-2004022521-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME CENTRAL GLASS COMPANY, LIMITED (JP) 2004-03-18 WO disclosed