SCHEMBL6231349

SCHEMBL6231349

NCCCCCc1cccc(F)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.71
MAOA P21397 1/20 0.55
DRD2 P14416 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MAPK1 P28482 1/20 0.49
MAOB P27338 2/20 0.49
HRH1 P35367 2/20 0.49
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48

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
SCHEMBL29263674 1.00 TAAR1 (0.71) TAAR1MAOADRD2SLC6A4SLC6A3
SCHEMBL29263635 1.00 TAAR1 (0.71) TAAR1MAOADRD2SLC6A4SLC6A3
SCHEMBL1317595 0.92 TAAR1 (0.77) TAAR1MAOADRD2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5857097 0.90 TAAR1 (0.74) TAAR1MAOADRD2SLC6A4SLC6A3
SCHEMBL7857344 0.86 TAAR1 (0.62) TAAR1DRD2SLC6A4SLC6A3IDO1
SCHEMBL30957025 0.86 MAOA (0.67) TAAR1MAOADRD2HRH1
SCHEMBL29429505 0.84 TAAR1 (1.00) TAAR1DRD2SLC6A3MAOBIDO1
SCHEMBL146545 0.84 TAAR1 (1.00) TAAR1DRD2SLC6A3MAOBIDO1
SCHEMBL16038467 0.82 TAAR1 (0.67) TAAR1DRD2SLC6A4SLC6A3MAOB
Hydrochloric Acid SCHEMBL5728333 0.82 TAAR1 (0.96) TAAR1DRD2SLC6A3MAOBIDO1

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