SCHEMBL7465477

SCHEMBL7465477

CCOC(=O)c1ccc(N(CC(O)COc2cccc([N+](=O)[O-])c2N)C2CCNCC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TLR4 O00206 3/20 0.35
TLR2 O60603 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.34
ACHE P22303 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
CACNA1C Q13936 1/20 0.33
PKM P14618 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
POLB P06746 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
SCHEMBL7473197 0.89 HRH3 (0.33) MAPTTLR4TLR2ALDH1A1KDM4E
SCHEMBL7465483 0.82 MAPT (0.35) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL7469316 0.81 ADRB3 (0.42) MAPTKMT2A
SCHEMBL7460844 0.81 TLR4 (0.32) MAPTTLR4TLR2
SCHEMBL7468835 0.81 TLR4 (0.32) MAPTTLR4TLR2
SCHEMBL7470305 0.80 MAPT (0.37) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL7470143 0.78 MAPT (0.36) MAPTKMT2AALDH1A1KDM4E
SCHEMBL7566557 0.78 KMT2A (0.39) MAPTNPC1RAB9ATLR2L3MBTL1
SCHEMBL7469205 0.76 SMN1; SMN2 (0.39) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL6301403 0.73 HRH3 (0.45) MAPTNPC1RAB9ANFKB1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214313-A2 HETEROARYLOXY PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-06-19 EP disclosed
WO-2001017989-A2 HETEROARYLOXYPROPANOLAMINES AS BETA3-ADRENERGIC RECEPTOR AGONISTS SANOFI-SYNTHELABO (FR) 2001-03-15 WO disclosed