SCHEMBL7469574

SCHEMBL7469574

CCOC(=O)c1ccc(N2CCC(CNCC(O)COc3ccc(O)cc3)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
ADRB3 P13945 13/20 0.47
ADRB1 P08588 11/20 0.47
ADRB2 P07550 3/20 0.46
P2RY12 Q9H244 1/20 0.46
MAPT P10636 1/20 0.44
OGA O60502 1/20 0.42
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1I2 O75469 1/20 0.41
PTGS2 P35354 1/20 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
SCHEMBL7469004 0.89 ADRB3 (0.52) HRH3ADRB3ADRB1ADRB2P2RY12
SCHEMBL7473044 0.89 ADRB3 (0.52) HRH3ADRB3ADRB1ADRB2P2RY12
SCHEMBL7136421 0.82 ADRB3 (0.56) ADRB3ADRB1ADRB2MAPT
SCHEMBL7560376 0.80 LMNA (0.56) HRH3ADRB3ADRB1ADRB2P2RY12
SCHEMBL6301392 0.78 HRH3 (0.47) HRH3ADRB3ADRB1ADRB2P2RY12
SCHEMBL7469677 0.77 ADRB1 (0.46) HRH3ADRB3ADRB1ADRB2P2RY12
SCHEMBL7136547 0.77 MAPT (0.58) ADRB3ADRB1ADRB2MAPTLMNA
SCHEMBL6953322 0.77 HRH3 (0.44) HRH3ADRB3ADRB1ADRB2P2RY12
SCHEMBL5202580 0.77 ADRB3 (0.55) ADRB3ADRB1ADRB2MAPTLMNA
SCHEMBL7467963 0.76 LMNA (0.44) HRH3ADRB3ADRB1ADRB2P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087961-B1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed