SCHEMBL11278331

SCHEMBL11278331

O=C1CCc2cc(OCCSc3ccccc3)ccc2N1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.70
MAOA P21397 12/20 0.70
DRD2 P14416 3/20 0.53
HTR1A P08908 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
SLC6A4 P31645 2/20 0.53
HTR7 P34969 2/20 0.53
DRD3 P35462 2/20 0.53
DRD4 P21917 1/20 0.53
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
KDM1A O60341 1/20 0.49

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
SCHEMBL11276093 0.94 MAOB (0.70) MAOBMAOADRD2HTR1AHTR2A
SCHEMBL11278334 0.93 MAOB (0.64) MAOBMAOADRD2HTR1AHTR2A
SCHEMBL11015880 0.93 MAOB (0.69) MAOBMAOADRD2HTR1AHTR2A
SCHEMBL11276209 0.92 MAOA (0.67) MAOBMAOADRD2HTR1AHTR2A
SCHEMBL11285429 0.92 MAOA (0.67) MAOBMAOADRD2HTR1AHTR2A
SCHEMBL11270628 0.89 MAOB (0.62) MAOBMAOADRD2HTR1AHTR2A
SCHEMBL11266584 0.86 MAOB (0.64) MAOBMAOADRD2HTR1AHTR2A
SCHEMBL11282730 0.83 MAOB (0.63) MAOBMAOADRD2HTR1AHTR2A
SCHEMBL11276496 0.83 MAOB (0.69) MAOBMAOADRD2
SCHEMBL11275961 0.82 MAOB (0.61) MAOBMAOADRD2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003771-B1 CARBOSTYRILE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1982-10-20 EP disclosed
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