SCHEMBL8931277

SCHEMBL8931277

Cc1c(F)cc(OC(CCN(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
SLC6A9 P48067 6/20 0.36
MMP14 P50281 1/20 0.36
SLC6A4 P31645 5/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HTR1A P08908 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
TLR9 Q9NR96 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
PHLPP2 Q6ZVD8 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8931267 0.84 ALDH1A1 (0.44) SLC6A9SLC6A4HTR1AALDH1A1
SCHEMBL8931276 0.75 SLC6A4 (0.64) SLC6A9SLC6A4HRH3HTR1AMEN1
SCHEMBL8341049 0.74 SLC6A4 (0.51) SLC6A4HRH3KMT2ACYP1A2CYP3A4
SCHEMBL4803483 0.71 SLC6A4 (0.62) SLC6A4HRH3MEN1KMT2ACYP1A2
SCHEMBL9501079 0.70 SLC6A4 (0.61) SLC6A9SLC6A4HRH3HTR1A
Oxalic Acid SCHEMBL11350914 0.66 SLC6A4 (0.57) SLC6A9SLC6A4HRH3
SCHEMBL6499305 0.66 SLC6A9 (0.52) MAPTSLC6A9MEN1ALDH1A1KMT2A
SCHEMBL11347429 0.65 SLC6A9 (0.48) SLC6A9SLC6A4HRH3L3MBTL1ALDH1A1
SCHEMBL18660127 0.65 MAPT (0.77) MAPTCRHBPCRHR2MMP14L3MBTL1
SCHEMBL11357415 0.65 CHRNB2 (0.57) SLC6A9SLC6A4HRH3L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618968-A N-substituted derivatives of N-methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine and the procedure for their preparation PLIVA FARMACEUTSKA KEMIJSKA, PREHRAMBENA I KOZMETICKA INDUSTRIJA, DIONICKO DRUSTVO (HR) 1997-04-08 US disclosed