SCHEMBL11061852

SCHEMBL11061852

O=C1CCc2cc(OCCCCC(=O)N(CCO)Cc3cccnc3)ccc2N1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.52
MAOB P27338 11/20 0.52
PDE3B Q13370 4/20 0.52
PDE3A Q14432 4/20 0.52
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
SLC6A4 P31645 2/20 0.43
HTR7 P34969 2/20 0.43
DRD3 P35462 2/20 0.43
DRD4 P21917 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
CYP19A1 P11511 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TBXAS1 P24557 1/20 0.42
KCNA5 P22460 1/20 0.41

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
SCHEMBL11062467 0.90 MAOA (0.63) MAOAMAOBPDE3BPDE3A
SCHEMBL11071191 0.89 MAOA (0.62) MAOAMAOBPDE3BPDE3AHTR1A
SCHEMBL11068004 0.87 MAOA (0.64) MAOAMAOBPDE3BPDE3A
SCHEMBL11061905 0.85 PDE3B (0.55) MAOAMAOBPDE3BPDE3AHTR1A
SCHEMBL11066048 0.84 PDE3B (0.58) MAOAMAOBPDE3BPDE3AHTR1A
SCHEMBL24508389 0.84 MAOA (0.53) MAOAMAOBPDE3BPDE3AHTR1A
SCHEMBL11067790 0.84 PDE3B (0.56) MAOAMAOBPDE3BPDE3AHTR1A
SCHEMBL11063117 0.83 PDE3B (0.64) MAOAMAOBPDE3BPDE3AHTR1A
SCHEMBL11067824 0.82 PDE3B (0.53) MAOAMAOBPDE3BPDE3AHTR1A
SCHEMBL11071181 0.82 PDE3B (0.55) MAOAMAOBPDE3BPDE3AHTR1A

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
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed