SCHEMBL11272012

SCHEMBL11272012

O=C1CCc2c(cccc2OCC(O)CSc2ccccc2)N1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.61
ADRB2 P07550 1/20 0.61
HTR1A P08908 1/20 0.61
OPRK1 P41145 1/20 0.61
SCN5A Q14524 3/20 0.49
SCN9A Q15858 3/20 0.49
SCN1A P35498 2/20 0.49
ABCB1 P08183 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL11547677 0.82 ADRB1 (0.70) ADRB1ADRB2HTR1AOPRK1SCN5A
SCHEMBL10656269 0.82 ADRB1 (0.69) ADRB1ADRB2HTR1AOPRK1SCN5A
SCHEMBL9802700 0.81 ADRB1 (0.68) ADRB1ADRB2HTR1AOPRK1SCN5A
SCHEMBL9336314 0.81 ADRB1 (0.68) ADRB1ADRB2HTR1AOPRK1SCN5A
SCHEMBL11280720 0.79 DRD2 (0.46) ADRB1ADRB2HTR1AOPRK1SCN5A
SCHEMBL11273318 0.79 ADRB1 (0.60) ADRB1ADRB2HTR1AOPRK1SCN5A
SCHEMBL11282768 0.78 ADRB1 (0.59) ADRB1ADRB2HTR1AOPRK1SCN5A
SCHEMBL13148891 0.78 ADRB1 (0.78) ADRB1ADRB2HTR1AOPRK1SCN5A
SCHEMBL11283387 0.77 MAOA (0.58) HTR1ADRD2DRD4DRD3BACE1
SCHEMBL11194692 0.76 ADRB1 (0.74) ADRB1ADRB2HTR1AOPRK1SCN5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4329347-A Cardiotonic and antithrombotic sulfur-containing derivatives of carbostyril BOEHRINGER INGELHEIM GMBH (DE) 1982-05-11 US disclosed
EP-0003771-A1 Carbostyrile derivatives, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1979-09-05 EP disclosed