SCHEMBL6301068

SCHEMBL6301068

CCCCNC(=O)c1ccc(N2CCC(NCCC(O)Oc3cccc4[nH]c(=O)[nH]c34)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.45
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
GAA P10253 1/20 0.40
DRD2 P14416 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
VCP P55072 1/20 0.39
CASR P41180 5/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
BRAF P15056 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 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
SCHEMBL6300969 0.87 ADRB3 (0.44) ADRB3ADRB2ADRB1GAAVCP
SCHEMBL6301065 0.86 ADRB3 (0.61) ADRB3ADRB2ADRB1CASR
SCHEMBL6301116 0.83 CASR (0.41) ADRB3ADRB2ADRB1CASRKDM4E
SCHEMBL6303593 0.80 CASR (0.39) ADRB3GAACASRKDM4EALDH1A1
SCHEMBL6074794 0.72 ADRB3 (0.60) ADRB3ADRB2ADRB1CASR
SCHEMBL6804674 0.72 ADRB3 (0.62) ADRB3ADRB2ADRB1CASR
SCHEMBL6301113 0.70 ADRB3 (0.43) ADRB3ADRB2ADRB1CASR
SCHEMBL6309219 0.69 ADRB1 (0.39) ADRB3ADRB2ADRB1VCPKDM4E
SCHEMBL6074461 0.69 ADRB3 (0.61) ADRB3ADRB2ADRB1
SCHEMBL6074252 0.69 ADRB3 (0.61) ADRB3ADRB2ADRB1CASR

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