SCHEMBL11537853

SCHEMBL11537853

CC(C)(C)C(=O)OCc1cc2c(OCC(O)CN3CCC(COc4ccccc4)CC3)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.49
ADRB1 P08588 6/20 0.49
ADRB3 P13945 6/20 0.49
DRD2 P14416 5/20 0.49
DRD4 P21917 5/20 0.49
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 6/20 0.45
DRD3 P35462 3/20 0.44
SLC6A4 P31645 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
SCHEMBL11543858 0.89 ADRB2 (0.53) ADRB2ADRB1ADRB3DRD2DRD4
SCHEMBL11537345 0.85 DRD4 (0.56) ADRB2ADRB1ADRB3DRD2DRD4
Benzoic Acid SCHEMBL11543852 0.83 ADRB2 (0.53) ADRB2ADRB1ADRB3DRD2DRD4
SCHEMBL11540608 0.83 ADRB2 (0.55) ADRB2ADRB1ADRB3DRD2DRD4
SCHEMBL11543042 0.83 HTR1A (0.62) ADRB2ADRB1ADRB3DRD2DRD4
SCHEMBL11541108 0.82 ADRB2 (0.51) ADRB2ADRB1ADRB3DRD2DRD4
Benzoic Acid SCHEMBL11538250 0.81 HTR1A (0.57) ADRB2ADRB1ADRB3DRD2DRD4
SCHEMBL11375285 0.80 ADRB2 (0.49) ADRB2ADRB1ADRB3DRD2DRD4
SCHEMBL11537855 0.80 ADRB2 (0.52) ADRB2ADRB1ADRB3DRD2DRD4
Mindodilol SCHEMBL6295415 0.78 ADRB2 (0.61) ADRB2ADRB1ADRB3HTR1ASLC6A4

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