SCHEMBL12285142

SCHEMBL12285142

CN1CCN(C(=O)c2ccc(Nc3ccc(O)c(O)c3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.54
POLB P06746 3/20 0.54
HPGD P15428 3/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 1/20 0.49
ABL1 P00519 1/20 0.48
GRM5 P41594 1/20 0.48
MAPKAPK2 P49137 1/20 0.47
NAMPT P43490 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46

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
SCHEMBL9012838 0.84 KMT2A (0.64) POLBHPGDALOX15KMT2AMEN1
SCHEMBL14409686 0.82 ALDH1A1 (0.60) EPHX2POLBHPGDALOX15KMT2A
SCHEMBL12128812 0.81 EPHX2 (0.79) EPHX2POLBHPGDALOX15KMT2A
SCHEMBL12128814 0.79 HPGD (0.61) POLBHPGDKMT2AMEN1CYP1A2
SCHEMBL10724841 0.78 POLB (0.81) EPHX2POLBHPGDALOX15KMT2A
SCHEMBL27998048 0.78 GRM5 (0.58) EPHX2POLBHPGDALOX15KMT2A
SCHEMBL21551794 0.77 POLB (0.65) EPHX2POLBHPGDALOX15KMT2A
SCHEMBL27997779 0.77 GRM5 (0.54) EPHX2POLBCYP1A2CYP2D6CYP2C19
SCHEMBL2473996 0.75 POLB (0.71) EPHX2POLBHPGDALOX15KMT2A
SCHEMBL28153695 0.75 LRRK2 (0.54) EPHX2POLBHPGDALOX15KMT2A

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-2011128455-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE S.A. (CH) 2011-10-20 WO disclosed