SCHEMBL11540486

SCHEMBL11540486

O=C(O)c1ccccc1OCC1CCN(CC(O)COc2cccc3[nH]ccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.61
ADRB1 P08588 1/20 0.61
ADRB3 P13945 1/20 0.61
HTR1A P08908 17/20 0.58
SLC6A4 P31645 4/20 0.58
ABCB1 P08183 2/20 0.54

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
Mindodilol SCHEMBL2107921 0.88 ADRB2 (0.63) ADRB2ADRB1ADRB3HTR1ASLC6A4
Mindodilol SCHEMBL11540170 0.88 ADRB2 (0.63) ADRB2ADRB1ADRB3HTR1ASLC6A4
Mindodilol SCHEMBL6295415 0.88 ADRB2 (0.61) ADRB2ADRB1ADRB3HTR1ASLC6A4
SCHEMBL11541170 0.87 HTR1A (0.64) ADRB2ADRB1ADRB3HTR1ASLC6A4
SCHEMBL11541941 0.86 ADRB2 (0.59) ADRB2ADRB1ADRB3HTR1ASLC6A4
SCHEMBL11539522 0.86 HTR1A (0.66) ADRB2ADRB1ADRB3HTR1ASLC6A4
Benzoic Acid SCHEMBL11544384 0.83 HTR1A (0.57) ADRB2ADRB1ADRB3HTR1ASLC6A4
SCHEMBL7885674 0.83 DRD4 (0.73) ADRB2ADRB1ADRB3HTR1ASLC6A4
SCHEMBL8433535 0.83 SCN9A (0.56) ADRB2ADRB1ADRB3HTR1ASLC6A4
SCHEMBL7882931 0.81 HTR1A (0.70) HTR1ASLC6A4

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-4146630-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-27 US disclosed