SCHEMBL7469677

SCHEMBL7469677

CCOC(=O)c1ccc(N2CCC(NCC(O)COc3ccc(O)c(C(C)=O)c3)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.46
ADRB3 P13945 9/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ADRB2 P07550 8/20 0.44
LMNA P02545 2/20 0.42
P2RY12 Q9H244 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
OGA O60502 1/20 0.41
USP30 Q70CQ3 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7467963 0.89 LMNA (0.44) ADRB1ADRB3HRH3ADRB2LMNA
SCHEMBL6953322 0.88 HRH3 (0.44) ADRB1ADRB3HRH3ADRB2LMNA
SCHEMBL7469004 0.88 ADRB3 (0.52) ADRB1ADRB3HRH3ADRB2LMNA
SCHEMBL7473044 0.88 ADRB3 (0.52) ADRB1ADRB3HRH3ADRB2LMNA
SCHEMBL7458989 0.87 HRH3 (0.43) ADRB1ADRB3HRH3ADRB2LMNA
SCHEMBL7079503 0.85 ADRB3 (0.44) ADRB1ADRB3HRH3ADRB2LMNA
SCHEMBL6301392 0.84 HRH3 (0.47) ADRB1ADRB3HRH3ADRB2LMNA
SCHEMBL7560376 0.83 LMNA (0.56) ADRB1ADRB3HRH3ADRB2LMNA
SCHEMBL7470650 0.80 LMNA (0.46) ADRB1ADRB3HRH3ADRB2LMNA
SCHEMBL7461831 0.79 LMNA (0.46) ADRB1ADRB3HRH3ADRB2LMNA

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