SCHEMBL11067771

SCHEMBL11067771

CCN(C(=O)CCCOc1cccc2c1NC(=O)CC2)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.41
PDE3A Q14432 10/20 0.41
S1PR5 Q9H228 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR1 P32246 1/20 0.33
KCNH2 Q12809 1/20 0.33
DRD2 P14416 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL11071895 0.83 PDE3B (0.40) PDE3BPDE3AMEN1KMT2ACCR1
SCHEMBL11058886 0.81 PDE3B (0.51) PDE3BPDE3A
SCHEMBL11069955 0.80 PDE3B (0.50) PDE3BPDE3A
SCHEMBL11068350 0.78 PDE3B (0.41) PDE3BPDE3AS1PR5MEN1KMT2A
SCHEMBL11071107 0.78 PDE3B (0.45) PDE3BPDE3A
SCHEMBL11065352 0.77 KMT2A (0.41) PDE3BPDE3AMEN1KMT2A
SCHEMBL11313435 0.75 ATM (0.41) PDE3BPDE3AL3MBTL1MEN1KMT2A
SCHEMBL11065568 0.75 ADRB2 (0.42) PDE3BPDE3AL3MBTL1KCNH2DRD2
SCHEMBL11062162 0.73 TRPM8 (0.44) PDE3BPDE3AMEN1KMT2ACCR1
SCHEMBL12090742 0.72 CYP19A1 (0.48) MEN1KMT2ACCR1KCNH2DRD2

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