SCHEMBL8499767

SCHEMBL8499767

O=C1CCc2cc(OCCC[S+]([O-])c3nccn3-c3ccccc3CO)ccc2N1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 7/20 0.47
▸ MAOB P27338 7/20 0.47
▸ DRD2 P14416 10/20 0.46
▸ DRD3 P35462 5/20 0.46
▸ HTR2A P28223 5/20 0.46
▸ HTR1A P08908 3/20 0.46
▸ HTR7 P34969 3/20 0.46
▸ DRD4 P21917 3/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ HTR6 P50406 1/20 0.42
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ DRD1 P21728 1/20 0.39
▸ DRD5 P21918 1/20 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
SCHEMBL9016879 0.88 DRD2 (0.50) MAOAMAOBDRD2DRD3HTR2A
SCHEMBL30958873 0.88 DRD2 (0.50) MAOAMAOBDRD2DRD3HTR2A
SCHEMBL9016864 0.88 DRD2 (0.50) MAOAMAOBDRD2DRD3HTR2A
SCHEMBL9016867 0.88 DRD2 (0.50) MAOAMAOBDRD2DRD3HTR2A
SCHEMBL9022884 0.88 MAOA (0.46) MAOAMAOBDRD2DRD3HTR2A
SCHEMBL9207106 0.86 DRD2 (0.52) MAOAMAOBDRD2DRD3HTR2A
SCHEMBL9023739 0.83 MAOB (0.43) MAOAMAOBDRD2DRD3HTR2A
SCHEMBL9016866 0.82 MAOA (0.44) MAOAMAOBDRD2DRD3HTR2A
SCHEMBL9016863 0.82 MAOA (0.44) MAOAMAOBDRD2DRD3HTR2A
SCHEMBL8705136 0.78 DRD2 (0.38) DRD2DRD3DRD4PDE3BPDE3A

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
JP-11001482-A — — None — — JP disclosed
JP-H111482-A CARBOSTYRIL DERIVATIVE OTSUKA PHARMACEUT CO LTD 1999-01-06 — — JP disclosed
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