SCHEMBL6152394

SCHEMBL6152394

CCOC(=O)COc1ccc(-c2cccc(C3(C)C=CC(C)=N3)n2)c2c1C1CCC2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
F9 P00740 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
TLR9 Q9NR96 2/20 0.33
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 5/20 0.32
MEN1 O00255 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6153072 0.91 NOS3 (0.42) NOS3NOS1NOS2ALDH1A1HPGD
Dimethylamine SCHEMBL6152663 0.87 NOS3 (0.43) NOS3NOS1NOS2
SCHEMBL5833970 0.83 NOS3 (0.39) NOS3NOS1NOS2F9ALDH1A1
SCHEMBL6152761 0.82 NOS3 (0.43) NOS3NOS1NOS2MAPTMAPK1
SCHEMBL6152640 0.80 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL6152653 0.78 NOS3 (0.42) NOS3NOS1NOS2
SCHEMBL6152398 0.78 NOS3 (0.45) NOS3NOS1NOS2F9ALDH1A1
SCHEMBL6152396 0.76 NOS3 (0.43) NOS3NOS1NOS2F9ALDH1A1
SCHEMBL5839227 0.76 MAPT (0.37) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL5833517 0.73 NOS3 (0.39) NOS3NOS1NOS2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084109-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PROD INC (US) 2005-01-26 EP disclosed
EP-1084109-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS Pfizer Products Inc. (US) 2001-03-21 EP disclosed
WO-1999062883-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 1999-12-09 WO disclosed