SCHEMBL5754545

SCHEMBL5754545

CN1CCC(N(C)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 4/20 0.47
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
STAT3 P40763 1/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2750399 1.00 MAPT (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2748535 0.93 STAT3 (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL1265483 0.79 HTR2A (0.43) ALDH1A1LMNAHTR2AHTR2CJAK2
SCHEMBL2748266 0.79 HTR2A (0.43) ALDH1A1LMNAHTR2AHTR2CJAK2
SCHEMBL2747036 0.77 MCHR1 (0.45) ALDH1A1HTR2AHTR2CMCHR1
SCHEMBL5570150 0.75 ALDH1A1 (0.54) MAPTALDH1A1KMT2ALMNACYP3A4
SCHEMBL10279 0.74 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6815172 0.74 ALDH1A1 (0.45) MAPTALDH1A1KMT2ALMNANOS3
SCHEMBL2747373 0.73 MAPT (0.67) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2747371 0.73 MAPT (0.67) MAPTALDH1A1MEN1KMT2ALMNA

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-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed