SCHEMBL6301404

SCHEMBL6301404

CCOC(=O)c1ccc(N2CCCCC2NC[C@H](O)COc2cccc([N+](=O)[O-])c2N)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
P2RY12 Q9H244 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
ADRB2 P07550 3/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
SGPL1 O95470 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34

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
SCHEMBL6303680 0.90 HRH3 (0.40) MAPTHRH3P2RY12ALDH1A1POLB
SCHEMBL6301403 0.87 HRH3 (0.45) MAPTNPC1NFKB1MAPK1RAB9A
SCHEMBL6301089 0.87 HRH3 (0.45) MAPTNPC1NFKB1MAPK1RAB9A
SCHEMBL6308613 0.80 MAPT (0.42) MAPTNPC1NFKB1MAPK1RAB9A
SCHEMBL6307432 0.76 HRH3 (0.48) MAPTMAPK1HRH3P2RY12ALDH1A1
SCHEMBL6303671 0.76 HRH3 (0.48) MAPTMAPK1HRH3P2RY12ALDH1A1
SCHEMBL7465477 0.72 MAPT (0.35) MAPTNPC1NFKB1MAPK1RAB9A
SCHEMBL6952119 0.69 PIK3CA (0.43) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL11357639 0.68 ADRB2 (0.54) NFKB1MAPK1ALDH1A1SMN1; SMN2ADRB2
SCHEMBL6303591 0.68 ADRB3 (0.42) MAPTALDH1A1GAASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858629-B1 Heteroaryloxy propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2005-02-22 US disclosed
EP-1214313-B1 HETEROARYLOXY PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-06-30 EP disclosed
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