SCHEMBL4966922

SCHEMBL4966922

CCNc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.53
PTPN5 P54829 1/20 0.46
MAPT P10636 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
P2RX1 P51575 2/20 0.44
CYP1A2 P05177 2/20 0.43
XPO1 O14980 1/20 0.43
IDO1 P14902 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ACP1 P24666 1/20 0.41

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
SCHEMBL10104509 0.88 RAPGEF4 (0.49) TRPA1PTPN5MAPTRAPGEF4P2RX1
SCHEMBL7835692 0.88 TRPA1 (0.51) TRPA1PTPN5MAPTRAPGEF4P2RX1
SCHEMBL22312230 0.86 RAPGEF4 (0.53) TRPA1PTPN5MAPTRAPGEF4P2RX1
Hydrochloric Acid SCHEMBL27668287 0.86 TRPA1 (0.50) TRPA1PTPN5MAPTRAPGEF4P2RX1
SCHEMBL6231746 0.84 TRPA1 (0.56) TRPA1MAPTRAPGEF4P2RX1CYP1A2
SCHEMBL27105205 0.83 TRPA1 (0.45) TRPA1PTPN5MAPTRAPGEF4P2RX1
SCHEMBL8168077 0.83 DHFR (0.46) TRPA1PTPN5MAPTP2RX1
SCHEMBL7574473 0.81 RIPK1 (0.49) TRPA1MAPTRAPGEF4P2RX1CYP1A2
SCHEMBL3531715 0.80 TRPA1 (0.52) TRPA1MAPTP2RX1CYP1A2LMNA
SCHEMBL6231339 0.79 TRPA1 (0.46) TRPA1MAPTRAPGEF4P2RX1CYP1A2

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 8 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 claimed
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 claimed
US-8003799-B2 For agriculture BAYER SAS (FR) 2011-08-23 US disclosed
US-7560565-B2 Method for preparing derivatives of 3-hydroxypicolinic acid BAYER CROPSCIENCE SA (FR) 2009-07-14 US disclosed
EP-1957507-A2 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS Isis Pharmaceuticals, Inc. (US) 2008-08-20 EP disclosed
WO-2007064954-A2 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed
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