SCHEMBL6301403

SCHEMBL6301403

CCOC(=O)c1ccc(N2CCC(NC[C@H](O)COc3cccc([N+](=O)[O-])c3N)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
P2RY12 Q9H244 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
USP30 Q70CQ3 3/20 0.38
PRMT5 O14744 2/20 0.38
OGA O60502 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6301089 1.00 HRH3 (0.45) HRH3P2RY12MEN1KMT2AADRB2
SCHEMBL6308613 0.90 MAPT (0.42) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL6307432 0.89 HRH3 (0.48) HRH3P2RY12MEN1KMT2AADRB2
SCHEMBL6303671 0.89 HRH3 (0.48) HRH3P2RY12MEN1KMT2AADRB2
SCHEMBL6301404 0.87 MAPT (0.38) HRH3P2RY12MEN1KMT2AADRB2
SCHEMBL6301103 0.80 ADRB3 (0.55) HRH3P2RY12MEN1KMT2AADRB2
SCHEMBL6301062 0.80 ADRB3 (0.55) HRH3P2RY12MEN1KMT2AADRB2
SCHEMBL6301392 0.80 HRH3 (0.47) HRH3P2RY12MEN1KMT2AADRB2
SCHEMBL7473044 0.79 ADRB3 (0.52) HRH3P2RY12MEN1KMT2AADRB2
SCHEMBL7469004 0.79 ADRB3 (0.52) HRH3P2RY12MEN1KMT2AADRB2

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