SCHEMBL11276815

SCHEMBL11276815

CC(C)CNC(c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)C(Cl)(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.49
FFAR1 O14842 3/20 0.47
PPARG P37231 1/20 0.47
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
ADAMTS4 O75173 1/20 0.42
MMP13 P45452 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
BCHE P06276 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL11276905 0.88 MRGPRX4 (0.40) MMP2MMP9BCHEALDH1A1
SCHEMBL11210926 0.85 BCHE (0.52) BCHE
SCHEMBL11277117 0.82 FFAR1 (0.46) MAOBFFAR1PPARGMMEACE
SCHEMBL15442613 0.79 MAOB (0.62) MAOBFFAR1PPARGADAMTS4MMP13
SCHEMBL19841942 0.75 MAOB (0.64) MAOBFFAR1PPARGMMEACE
SCHEMBL11208145 0.74 FFAR1 (0.46) MAOBFFAR1HRH3BCHEALDH1A1
SCHEMBL18164548 0.73 MAOB (0.70) MAOBFFAR1PPARG
SCHEMBL11283415 0.72 HDAC3 (0.43) FFAR1PPARGMMP2MMP9ALDH1A1
SCHEMBL14108486 0.72 MAOB (0.64) MAOBFFAR1PPARGMMP2MMP9
SCHEMBL11209448 0.72 BCHE (0.48) MAOBBCHEALDH1A1MAOA

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
EP-0051196-A1 4-Benzyloxy-alpha-trichloromethylbenzyl amines, process for their preparation, pesticidal compositions containing them, their preparation and use BAYER AG (DE) 1982-05-12 EP disclosed