SCHEMBL11088812

SCHEMBL11088812

CC(C)NCC(O)COc1ccc(O)c2[nH]c3ccccc3c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 8/20 0.72
▸ DNM1 Q05193 1/20 0.72
▸ HTR1A P08908 5/20 0.56
▸ DRD3 P35462 3/20 0.56
▸ ADRA2A P08913 2/20 0.56
▸ SLC6A2 P23975 2/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ ADRB1 P08588 7/20 0.54
▸ CYP2D6 P10635 6/20 0.54
▸ ADRB3 P13945 6/20 0.54
▸ CYP1A2 P05177 5/20 0.54
▸ SIGMAR1 Q99720 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ HTR2C P28335 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ SLC6A4 P31645 3/20 0.54
▸ HTR2B P41595 3/20 0.54
▸ NR2E1 Q9Y466 3/20 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
Carazolol SCHEMBL77903 0.84 ADRB2 (1.00) ADRB2DNM1HTR1ADRD3ADRA2A
Carazolol SCHEMBL6511163 0.84 ADRB2 (1.00) ADRB2DNM1HTR1ADRD3ADRA2A
Carazolol SCHEMBL77901 0.84 ADRB2 (1.00) ADRB2DNM1HTR1ADRD3ADRA2A
Carazolol SCHEMBL29354289 0.84 ADRB2 (1.00) ADRB2DNM1HTR1ADRD3ADRA2A
Carazolol SCHEMBL7530148 0.83 ADRB2 (0.98) ADRB2DNM1HTR1ADRD3ADRA2A
Carazolol SCHEMBL10568418 0.83 ADRB2 (0.98) ADRB2DNM1HTR1ADRD3ADRA2A
4-Hydroxypropranolol Sulfate SCHEMBL28716845 0.80 CYP2D6 (0.72) ADRB2DNM1HTR1ADRD3ADRA2A
SCHEMBL13495721 0.78 ADRB2 (0.76) ADRB2DNM1HTR1ADRD3ADRA2A
SCHEMBL12629107 0.77 ADRB2 (0.74) ADRB2DNM1HTR1ADRD3ADRA2A
SCHEMBL12407602 0.77 ADRB2 (0.74) ADRB2DNM1HTR1ADRD3ADRA2A

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
EP-0114048-A2 Use of D,L and D-carazolole for the manufacture of antiglaucoma agents and pharmaceutical compositions containing D-carazolole Roche Diagnostics GmbH (DE) 1984-07-25 — — EP disclosed
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