SCHEMBL7080461

SCHEMBL7080461

CCOC(=O)c1cccc(N2CCC(NCC(O)COc3ccc(OCc4ccccc4)cc3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ADRB3 P13945 14/20 0.47
ADRB2 P07550 13/20 0.47
ADRB1 P08588 12/20 0.47
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7073107 0.92 ADRB3 (0.51) LMNAMEN1KMT2AKDM4EMITF
SCHEMBL7560376 0.85 LMNA (0.56) LMNAMEN1KMT2AKDM4EMITF
SCHEMBL7836521 0.80 LMNA (0.53) LMNAMEN1KMT2AKDM4EMITF
SCHEMBL7460733 0.77 LMNA (0.52) LMNAMEN1KMT2AKDM4EMITF
SCHEMBL7469004 0.76 ADRB3 (0.52) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL7473044 0.76 ADRB3 (0.52) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL7470650 0.75 LMNA (0.46) LMNAMEN1KMT2AKDM4EMITF
SCHEMBL7461831 0.75 LMNA (0.46) LMNAMEN1KMT2AKDM4EMITF
SCHEMBL7461019 0.75 PIK3CA (0.52) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL7467859 0.75 LMNA (0.45) LMNAMEN1KMT2AKDM4EMITF

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-6649627-B1 N-Substituted with 1- (pyrid-2-yl)-piperidine-4-yl radical; gastrointestinal and psychological disorder treatment; antidiabetic tocolytic, and antidepressant agents; irritable bowel syndrome, glaucoma and dysmenorrhoea SANOFI-SYNTHELABO (FR) 2003-11-18 US disclosed
EP-1087961-B1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed