SCHEMBL6944610

SCHEMBL6944610

NC(=O)c1ccc(N2CCC(NCC(O)COc3ccc(O)cc3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.53
ADRB1 P08588 9/20 0.53
ADRB2 P07550 7/20 0.53
HRH3 Q9Y5N1 5/20 0.48
LMNA P02545 2/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 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
SCHEMBL7460733 0.90 LMNA (0.52) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL7469004 0.87 ADRB3 (0.52) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL7473044 0.87 ADRB3 (0.52) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL6953116 0.84 ADRB1 (0.56) ADRB3ADRB1ADRB2LMNAMEN1
SCHEMBL7473303 0.84 ADRB3 (0.58) ADRB3ADRB1ADRB2LMNA
SCHEMBL7854359 0.84 HRH3 (0.45) ADRB3ADRB1HRH3JAK2JAK1
SCHEMBL6951393 0.83 ADRB1 (0.57) ADRB3ADRB1ADRB2
SCHEMBL7469736 0.82 ADRB3 (0.53) ADRB3ADRB1ADRB2LMNAALDH1A1
SCHEMBL6945509 0.80 ADRB1 (0.58) ADRB3ADRB1ADRB2LMNAMEN1
SCHEMBL7560376 0.79 LMNA (0.56) 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 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