SCHEMBL11066098

SCHEMBL11066098

O=C(O)CCCCOc1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.66
MAOA P21397 13/20 0.66
PDE3B Q13370 3/20 0.60
PDE3A Q14432 3/20 0.60
DRD2 P14416 3/20 0.51
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
SLC6A4 P31645 2/20 0.51
HTR7 P34969 2/20 0.51
DRD3 P35462 2/20 0.51
DRD4 P21917 1/20 0.51
MEN1 O00255 1/20 0.50
ABCC4 O15439 1/20 0.50
CACNA1F O60840 1/20 0.50
ABCB11 O95342 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL11289343 0.99 MAOB (0.65) MAOBMAOAPDE3BPDE3ADRD2
SCHEMBL10900191 0.96 MAOB (0.67) MAOBMAOAPDE3BPDE3ADRD2
SCHEMBL11287532 0.92 MAOB (0.67) MAOBMAOAPDE3BPDE3ADRD2
SCHEMBL16059342 0.86 MAOB (0.67) MAOBMAOADRD2
SCHEMBL16409766 0.85 HDAC1 (0.68) MAOBMAOAPDE3BPDE3A
SCHEMBL10898729 0.85 MAOB (0.67) MAOBMAOAPDE3BPDE3ADRD2
SCHEMBL14815990 0.84 MAOA (0.65) MAOBMAOAPDE3BPDE3ADRD2
SCHEMBL6585538 0.84 MAOB (0.68) MAOBMAOAPDE3BPDE3ADRD2
SCHEMBL8212260 0.84 MAOB (0.72) MAOBMAOADRD2
SCHEMBL11603568 0.83 PDE3B (0.57) MAOBMAOAPDE3BPDE3ADRD2

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