SCHEMBL11276922

SCHEMBL11276922

O=C1CCc2cc(OCCCCCBr)ccc2N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 17/20 0.65
MAOA P21397 16/20 0.65
PDE3B Q13370 2/20 0.53
PDE3A Q14432 2/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR7 P34969 1/20 0.53
DRD3 P35462 1/20 0.53
MEN1 O00255 1/20 0.52
ABCC4 O15439 1/20 0.52
CACNA1F O60840 1/20 0.52
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL11273468 1.00 MAOB (0.65) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL1036438 0.99 MAOB (0.67) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL9164057 0.94 MAOB (0.68) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL25362567 0.90 MAOB (0.67) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL11070224 0.89 MAOB (0.72) MAOBMAOA
SCHEMBL8513 0.88 MAOB (0.71) MAOBMAOA
SCHEMBL6584817 0.88 MAOB (0.67) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL29460203 0.88 MAOB (0.71) MAOBMAOA
SCHEMBL13111961 0.86 MAOB (0.65) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL6585538 0.86 MAOB (0.68) MAOBMAOAPDE3BPDE3AHTR1A

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