SCHEMBL11289343

SCHEMBL11289343

O=C(O)CCCCCCOc1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.65
MAOA P21397 15/20 0.65
PDE3B Q13370 2/20 0.59
PDE3A Q14432 2/20 0.59
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR7 P34969 1/20 0.50
DRD3 P35462 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
SCHEMBL11066098 0.99 MAOB (0.66) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL10900191 0.95 MAOB (0.67) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL11287532 0.91 MAOB (0.67) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL16409766 0.87 HDAC1 (0.68) MAOBMAOAPDE3BPDE3AHDAC3
SCHEMBL16398839 0.85 PDE3B (0.59) MAOBMAOAPDE3BPDE3ADRD2
SCHEMBL11288012 0.85 PDE3B (0.59) MAOBMAOAPDE3BPDE3ADRD2
SCHEMBL16059342 0.85 MAOB (0.67) MAOBMAOADRD2
SCHEMBL6584817 0.84 MAOB (0.67) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL10898729 0.84 MAOB (0.67) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL11283546 0.84 MAOA (0.67) 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
US-4313947-A TREATMENT OF BLOOD DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1982-02-02 US disclosed
US-4216220-A Platelet aggregation inhibiting 2-oxyindoles, their compositions and method of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-08-05 US disclosed
US-4070470-A BENCYCLOAMIDE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JA) 1978-01-24 US disclosed