SCHEMBL7460652

SCHEMBL7460652

CCOC(=O)c1ccc(N(C[C@H](O)COc2cccc3c2=NC(=O)N=3)C2CCNCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
SLC6A4 P31645 3/20 0.33
TACR1 P25103 1/20 0.33
ADRB2 P07550 4/20 0.33
NMT2 O60551 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
NMT1 P30419 2/20 0.33
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 1/20 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
SCHEMBL7468045 1.00 MAPT (0.34) MAPTSLC6A4TACR1ADRB2NMT2
SCHEMBL7460844 0.91 TLR4 (0.32) MAPT
SCHEMBL7470143 0.83 MAPT (0.36) MAPTSLC6A4ADRB2NMT2ADRB1
SCHEMBL7473197 0.74 HRH3 (0.33) MAPTSLC6A4ADRB2NMT2ADRB1
SCHEMBL7469316 0.73 ADRB3 (0.42) MAPTSLC6A4ADRB2ADRB1ADRB3
SCHEMBL7553552 0.72 MAPT (0.35) MAPTSLC6A4TACR1KDM4EMEN1
SCHEMBL7465477 0.71 MAPT (0.35) MAPTKDM4EALDH1A1KMT2A
SCHEMBL7459064 0.69 ADRB3 (0.38) MAPTSLC6A4ADRB2ADRB1ADRB3
SCHEMBL7470305 0.67 MAPT (0.37) MAPTADRB2ADRB1ADRB3MAPK14
SCHEMBL7822122 0.67 MAPT (0.36) MAPTMAPK14MEN1USP2ALDH1A1

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