SCHEMBL11547677

SCHEMBL11547677

CC(C)(C)SCC(O)COc1cccc2c1CCC(=O)N2

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.70
ADRB2 P07550 2/20 0.70
HTR1A P08908 2/20 0.70
OPRK1 P41145 1/20 0.70
SCN1A P35498 2/20 0.44
SCN5A Q14524 2/20 0.44
SCN9A Q15858 2/20 0.44
ADRB3 P13945 3/20 0.41
TSHR P16473 1/20 0.41
SLC6A4 P31645 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ABCB1 P08183 2/20 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
Carteolol SCHEMBL146637 0.82 ADRB1 (1.00) ADRB1ADRB2HTR1AOPRK1ADRB3
Carteolol SCHEMBL24811 0.82 ADRB1 (1.00) ADRB1ADRB2HTR1AOPRK1ADRB3
Carteolol SCHEMBL24810 0.82 ADRB1 (1.00) ADRB1ADRB2HTR1AOPRK1ADRB3
Carteolol SCHEMBL29908301 0.82 ADRB1 (1.00) ADRB1ADRB2HTR1AOPRK1ADRB3
Carteolol SCHEMBL30872857 0.82 ADRB1 (1.00) ADRB1ADRB2HTR1AOPRK1ADRB3
SCHEMBL11272012 0.82 ADRB1 (0.61) ADRB1ADRB2HTR1AOPRK1SCN1A
Carteolol SCHEMBL2549082 0.82 ADRB1 (1.00) ADRB1ADRB2HTR1AOPRK1ADRB3
SCHEMBL10656269 0.82 ADRB1 (0.69) ADRB1ADRB2HTR1AOPRK1SCN1A
Carteolol SCHEMBL41380 0.81 ADRB2 (0.98) ADRB1ADRB2HTR1AOPRK1ADRB3
Carteolol SCHEMBL41382 0.81 ADRB2 (0.98) ADRB1ADRB2HTR1AOPRK1ADRB3

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-0003771-A1 Carbostyrile derivatives, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1979-09-05 EP disclosed