SCHEMBL11071895

SCHEMBL11071895

CCN(C(=O)CCCOc1cccc2c1NC(=O)CC2)C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.40
PDE3A Q14432 7/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CCR1 P32246 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL11067771 0.83 PDE3B (0.41) PDE3BPDE3AMEN1KMT2AMAOA
SCHEMBL11058886 0.78 PDE3B (0.51) PDE3BPDE3A
SCHEMBL11069955 0.78 PDE3B (0.50) PDE3BPDE3A
SCHEMBL11071107 0.75 PDE3B (0.45) PDE3BPDE3A
SCHEMBL11065352 0.74 KMT2A (0.41) PDE3BPDE3AMEN1KMT2AGAA
SCHEMBL11068350 0.73 PDE3B (0.41) PDE3BPDE3AMEN1KMT2ACYP11B2
SCHEMBL11062162 0.73 TRPM8 (0.44) PDE3BPDE3AMEN1KMT2AMAOA
SCHEMBL11058649 0.73 USP30 (0.39) PDE3BPDE3AKMT2ASLC6A2SLC6A4
SCHEMBL12090742 0.71 CYP19A1 (0.48) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL11278612 0.71 LMNA (0.46) MAOAMAOBCCR1KCNH2LMNA

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