SCHEMBL6231341

SCHEMBL6231341

NCCCCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.48
TAAR1 Q96RJ0 2/20 0.47
IDO1 P14902 2/20 0.47
HRH1 P35367 4/20 0.42
MAOA P21397 1/20 0.42
DAO P14920 1/20 0.40
TACR1 P25103 5/20 0.39
MAOB P27338 1/20 0.39
DHODH Q02127 1/20 0.39
CACNA1H O95180 1/20 0.39

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
SCHEMBL7777598 1.00 RAD52 (0.48) RAD52TAAR1IDO1HRH1MAOA
SCHEMBL28703223 1.00 RAD52 (0.48) RAD52TAAR1IDO1HRH1MAOA
SCHEMBL7574477 0.98 RAD52 (0.49) RAD52TAAR1IDO1HRH1MAOA
SCHEMBL1587764 0.92 IDO1 (0.50) RAD52TAAR1IDO1DAOTACR1
SCHEMBL15784839 0.89 RAD52 (0.44) RAD52TAAR1IDO1MAOADAO
SCHEMBL15787370 0.85 NOS1 (0.48) RAD52TAAR1IDO1HRH1MAOA
SCHEMBL21514085 0.85 RAD52 (0.41) RAD52TAAR1IDO1MAOADAO
SCHEMBL626371 0.83 TAAR1 (0.64) RAD52TAAR1IDO1DAOMAOB
SCHEMBL2095840 0.82 TAAR1 (0.74) TAAR1IDO1MAOADAOMAOB
SCHEMBL6235879 0.82 TAAR1 (0.74) TAAR1IDO1MAOADAOMAOB

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 4 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
EP-0709376-B1 Phenylpiperidino derivatives as neurokinin antagonists ASTRAZENECA AB (SE) 2003-07-23 EP disclosed
EP-0709376-A2 Therapeutic compounds ZENECA LIMITED (GB) 1996-05-01 EP disclosed