SCHEMBL7473044

SCHEMBL7473044

CCOC(=O)c1ccc(N2CCC(NC[C@H](O)COc3ccc(O)cc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.52
ADRB1 P08588 9/20 0.52
ADRB2 P07550 8/20 0.52
HRH3 Q9Y5N1 1/20 0.49
LMNA P02545 2/20 0.49
P2RY12 Q9H244 1/20 0.47
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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 1.00 ADRB3 (0.52) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL7560376 0.91 LMNA (0.56) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL6301392 0.89 HRH3 (0.47) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL7469574 0.89 HRH3 (0.49) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL5202580 0.88 ADRB3 (0.55) ADRB3ADRB1ADRB2LMNAMAPT
SCHEMBL7469677 0.88 ADRB1 (0.46) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL6944610 0.87 ADRB3 (0.53) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL6953322 0.87 HRH3 (0.44) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL7461019 0.87 PIK3CA (0.52) ADRB3ADRB1ADRB2LMNAMAPT
SCHEMBL7467963 0.86 LMNA (0.44) ADRB3ADRB1ADRB2HRH3LMNA

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 3 patents. 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
EP-1087961-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2001-04-04 EP disclosed
WO-1999065895-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 1999-12-23 WO disclosed