SCHEMBL6301065

SCHEMBL6301065

CCCCNC(=O)c1ccc(N2CCC(NC[C@H](O)COc3cccc4[nH]c(=O)[nH]c34)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.61
ADRB2 P07550 6/20 0.55
ADRB1 P08588 5/20 0.55
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.47
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CASR P41180 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR1A P08908 4/20 0.41

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
SCHEMBL6074794 0.87 ADRB3 (0.60) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6804674 0.86 ADRB3 (0.62) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6301068 0.86 ADRB3 (0.45) ADRB3ADRB2ADRB1CASR
SCHEMBL6301113 0.84 ADRB3 (0.43) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6074461 0.83 ADRB3 (0.61) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6074252 0.83 ADRB3 (0.61) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6074553 0.82 ADRB3 (0.63) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6074831 0.82 ADRB3 (0.59) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6074094 0.81 ADRB3 (0.79) ADRB3ADRB2ADRB1MEN1ALOX15
SCHEMBL6075232 0.81 ADRB3 (0.65) ADRB3ADRB2ADRB1MEN1CYP1A2

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
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