SCHEMBL7079503

SCHEMBL7079503

CCOC(=O)c1ccc(N2CCC(NCC(O)COc3ccc(O)c(-c4ccco4)c3)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.44
ADRB1 P08588 13/20 0.44
ADRB2 P07550 13/20 0.44
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.41
P2RY12 Q9H244 1/20 0.41
OGA O60502 1/20 0.39

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
SCHEMBL7469677 0.85 ADRB1 (0.46) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL6953322 0.84 HRH3 (0.44) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL7469004 0.83 ADRB3 (0.52) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL7473044 0.83 ADRB3 (0.52) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL7467963 0.83 LMNA (0.44) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL7458989 0.83 HRH3 (0.43) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL7560376 0.80 LMNA (0.56) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL6301392 0.80 HRH3 (0.47) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL7470650 0.76 LMNA (0.46) ADRB3ADRB1ADRB2HRH3LMNA
SCHEMBL7461831 0.76 LMNA (0.46) 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 1 patent. 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