SCHEMBL7126072

SCHEMBL7126072

c1cc(NNc2cccc(-c3ccc(OCCN4CCc5ccccc5C4)c4ccccc34)n2)nc(-c2ccc(OCCN3CCCCC3)c3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.60
NOS1 P29475 7/20 0.60
NOS2 P35228 7/20 0.60
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 2/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HRH3 Q9Y5N1 5/20 0.42
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7126075 0.88 NOS3 (0.79) NOS3NOS1NOS2MAPTMEN1
SCHEMBL5833752 0.82 NOS3 (0.74) NOS3NOS1NOS2MAPTMEN1
SCHEMBL5833909 0.77 NOS3 (0.98) NOS3NOS1NOS2HRH3HTR2A
SCHEMBL7409113 0.76 NOS3 (0.75) NOS3NOS1NOS2HRH3HTR2A
SCHEMBL5834017 0.76 NOS3 (1.00) NOS3NOS1NOS2HRH3HTR2A
SCHEMBL7188765 0.74 MEN1 (0.46) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL5833404 0.72 NOS3 (0.76) NOS3NOS1NOS2MAPTMEN1
SCHEMBL5833630 0.72 NOS3 (0.69) NOS3NOS1NOS2MAPTKDM4E
SCHEMBL7083997 0.71 NOS3 (0.85) NOS3NOS1NOS2HRH3HTR2A
SCHEMBL5833244 0.71 NOS3 (0.64) NOS3NOS1NOS2MAPTMEN1

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
JP-2003523941-A 2003-08-12 JP claimed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed