SCHEMBL11537345

SCHEMBL11537345

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.56
DRD2 P14416 5/20 0.56
ADRB2 P07550 6/20 0.56
ADRB1 P08588 5/20 0.56
ADRB3 P13945 5/20 0.56
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DRD3 P35462 3/20 0.52
HTR1A P08908 5/20 0.49
SLC6A4 P31645 1/20 0.48

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
Benzoic Acid SCHEMBL11543852 0.94 ADRB2 (0.53) DRD4DRD2ADRB2ADRB1ADRB3
SCHEMBL11543042 0.88 HTR1A (0.62) DRD4DRD2ADRB2ADRB1ADRB3
SCHEMBL11543858 0.87 ADRB2 (0.53) DRD4DRD2ADRB2ADRB1ADRB3
SCHEMBL11540608 0.86 ADRB2 (0.55) DRD4DRD2ADRB2ADRB1ADRB3
SCHEMBL11537853 0.85 ADRB2 (0.49) DRD4DRD2ADRB2ADRB1ADRB3
Benzoic Acid SCHEMBL11375283 0.84 ADRB2 (0.50) DRD4DRD2ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL11261798 0.83 ADRB3 (0.76) DRD4DRD2ADRB2ADRB1ADRB3
Mindodilol SCHEMBL2107921 0.83 ADRB2 (0.63) DRD4DRD2ADRB2ADRB1ADRB3
Mindodilol SCHEMBL11540170 0.83 ADRB2 (0.63) DRD4DRD2ADRB2ADRB1ADRB3
Benzoic Acid SCHEMBL11538250 0.83 HTR1A (0.57) DRD4DRD2ADRB2ADRB1ADRB3

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