SCHEMBL5374258

SCHEMBL5374258

CC(C)(C)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.48
ALDH1A1 P00352 11/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 5/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2D6 P10635 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.43

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
SCHEMBL5322795 0.84 ALDH1A1 (0.64) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL28038246 0.82 ALDH1A1 (0.69) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL27703769 0.81 MAPT (0.49) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL3538126 0.81 ALDH1A1 (0.68) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL22094803 0.81 ALDH1A1 (0.68) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL957198 0.80 MAPT (0.61) MAPTALDH1A1CYP1A2CYP2C19LMNA
SCHEMBL27646270 0.80 MAPT (0.53) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL10359737 0.80 MAPT (0.65) MAPTALDH1A1L3MBTL1LMNANPSR1
SCHEMBL16823203 0.78 MAPT (0.48) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL3154116 0.78 MAPT (0.64) MAPTALDH1A1CYP1A2CYP2C19LMNA

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-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO disclosed