SCHEMBL6924381

SCHEMBL6924381

Nc1ccnn1CCOc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2-c2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
LRRK2 Q5S007 3/20 0.42
NTRK1 P04629 2/20 0.41
SRPK3 Q9UPE1 1/20 0.40
RAB9A P51151 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
NPC1 O15118 1/20 0.39
TNF P01375 1/20 0.39
NOD1 Q9Y239 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL6642272 0.90 SMO (0.43) GAARAB9ANPC1TNFNOD1
SCHEMBL6259089 0.81 GAA (0.53) GAALRRK2SRPK3RAB9ANPC1
SCHEMBL7086871 0.81 HTR2C (0.49) GAALRRK2SRPK3RAB9AHTR2A
SCHEMBL6646726 0.79 PTGS1 (0.46) GAAKDM4EALDH1A1
SCHEMBL6646519 0.79 GAA (0.41) GAARAB9ANPC1TNFNOD1
SCHEMBL7083646 0.78 GAA (0.49) GAALRRK2NTRK1SRPK3RAB9A
SCHEMBL6644345 0.75 SMO (0.44) GAANTRK1RAB9ANPC1TNF
SCHEMBL7172033 0.73 HDAC2 (0.41) GAALRRK2NTRK1
SCHEMBL6792746 0.72 PTGS1 (0.57) RAB9ANPC1
SCHEMBL6643633 0.72 MEN1 (0.41) RAB9AHTR2CHTR2B

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
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed