SCHEMBL6231746

SCHEMBL6231746

CCCNc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.56
CYP1A2 P05177 2/20 0.56
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
P2RX1 P51575 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
XPO1 O14980 1/20 0.42
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL13996789 0.88 TRPA1 (0.51) TRPA1CYP1A2LMNAMAPTRAPGEF4
SCHEMBL7574473 0.88 RIPK1 (0.49) TRPA1CYP1A2LMNAMAPTRAPGEF4
SCHEMBL6231339 0.86 TRPA1 (0.46) TRPA1CYP1A2LMNAMAPTRAPGEF4
SCHEMBL4966922 0.84 TRPA1 (0.53) TRPA1CYP1A2LMNAMAPTRAPGEF4
SCHEMBL7685789 0.82 RHOC (0.51) TRPA1CYP1A2LMNAMAPTRAPGEF4
SCHEMBL5120346 0.81 TRPA1 (0.63) TRPA1CYP1A2LMNAP2RX1MEN1
SCHEMBL12587250 0.81 MAPT (0.47) TRPA1CYP1A2LMNAMAPTRAPGEF4
SCHEMBL6232265 0.80 LMNA (0.63) TRPA1CYP1A2LMNAMAPTRAPGEF4
SCHEMBL5126746 0.79 TRPA1 (0.43) TRPA1CYP1A2LMNAMAPTRAPGEF4
SCHEMBL4268165 0.78 MEN1 (0.59) TRPA1CYP1A2LMNAMAPTMEN1

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