SCHEMBL7465483

SCHEMBL7465483

CCOC(=O)c1ccc(N(C2CCNCC2)C(Oc2cccc([N+](=O)[O-])c2N)C(C)O)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 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 1/20 0.34
TLR2 O60603 1/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 1/20 0.33
CACNA1C Q13936 2/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL7473202 0.89 HRH3 (0.34) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7465477 0.82 MAPT (0.35) MAPTRAB9ANPC1NFKB1MAPK1
SCHEMBL7470311 0.80 MBTPS1 (0.33) RAB9ANPC1HRH3POLBLMNA
SCHEMBL7469212 0.76 MAOB (0.35) MAPTRAB9ANPC1ACHESMN1; SMN2
SCHEMBL7473197 0.71 HRH3 (0.33) MAPTTLR4TLR2ALDH1A1HRH3
SCHEMBL7822124 0.67 JMJD6 (0.36) MAPTGAAKDM4EKMT2ALMNA
SCHEMBL6301403 0.66 HRH3 (0.45) MAPTRAB9ANPC1NFKB1MAPK1
SCHEMBL6301089 0.66 HRH3 (0.45) MAPTRAB9ANPC1NFKB1MAPK1
SCHEMBL7566562 0.66 KMT2A (0.37) MAPTRAB9ANPC1TLR2ALDH1A1
SCHEMBL7470148 0.65 LMNA (0.34) MAPTRAB9AALDH1A1KMT2ALMNA

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