SCHEMBL6953116

SCHEMBL6953116

Oc1ccc(OCC(O)CNC2CCN(c3ccc(Cl)cn3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 11/20 0.56
ADRB3 P13945 11/20 0.56
ADRB2 P07550 10/20 0.56
NPY1R P25929 1/20 0.50
KCNH2 Q12809 1/20 0.46
HRH1 P35367 1/20 0.46
CCR3 P51677 1/20 0.46
LMNA P02545 2/20 0.46
DEGS1 O15121 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7473303 0.88 ADRB3 (0.58) ADRB1ADRB3ADRB2LMNA
SCHEMBL6951393 0.86 ADRB1 (0.57) ADRB1ADRB3ADRB2HRH1CCR3
SCHEMBL6944610 0.84 ADRB3 (0.53) ADRB1ADRB3ADRB2LMNAMEN1
SCHEMBL7469736 0.84 ADRB3 (0.53) ADRB1ADRB3ADRB2LMNA
SCHEMBL6945509 0.83 ADRB1 (0.58) ADRB1ADRB3ADRB2LMNAMEN1
SCHEMBL6953354 0.83 ADRB1 (0.55) ADRB1ADRB3ADRB2NPY1RHRH1
SCHEMBL7469004 0.81 ADRB3 (0.52) ADRB1ADRB3ADRB2LMNAMEN1
SCHEMBL7473044 0.81 ADRB3 (0.52) ADRB1ADRB3ADRB2LMNAMEN1
SCHEMBL5204833 0.79 ADRB1 (0.54) ADRB1ADRB3ADRB2KMT2A
SCHEMBL7836521 0.78 LMNA (0.53) ADRB1ADRB3ADRB2LMNAMEN1

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 4 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
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