SCHEMBL7560376

SCHEMBL7560376

CCOC(=O)c1ccc(N2CCC(NC[C@H](O)COc3ccc(OCc4ccccc4)cc3)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
P2RY12 Q9H244 1/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ADRB2 P07550 10/20 0.48
ADRB1 P08588 10/20 0.48
ADRB3 P13945 10/20 0.48
HRH3 Q9Y5N1 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
DGAT1 O75907 1/20 0.44

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
SCHEMBL7473044 0.91 ADRB3 (0.52) LMNAP2RY12MAPTMEN1ALDH1A1
SCHEMBL7469004 0.91 ADRB3 (0.52) LMNAP2RY12MAPTMEN1ALDH1A1
SCHEMBL7470650 0.89 LMNA (0.46) LMNAP2RY12MAPTKDM4EMEN1
SCHEMBL7461831 0.89 LMNA (0.46) LMNAP2RY12MAPTKDM4EMEN1
SCHEMBL7460733 0.88 LMNA (0.52) LMNAMAPTKDM4EMEN1MITF
SCHEMBL7467859 0.88 LMNA (0.45) LMNAP2RY12MAPTKDM4EMEN1
SCHEMBL7472518 0.87 LMNA (0.45) LMNAP2RY12MAPTKDM4EMEN1
SCHEMBL7836521 0.86 LMNA (0.53) LMNAMAPTKDM4EMEN1MITF
SCHEMBL7080461 0.85 LMNA (0.56) LMNAMAPTKDM4EMEN1MITF
SCHEMBL6301392 0.85 HRH3 (0.47) LMNAP2RY12MAPTMEN1ALDH1A1

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