SCHEMBL11058649

SCHEMBL11058649

CN(CC1CCCNC1)C(=O)CCOc1cccc2c1NC(=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 2/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
KMT2A Q03164 1/20 0.35
PARP1 P09874 1/20 0.35
HTR6 P50406 1/20 0.33
ROCK2 O75116 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
CDK9 P50750 1/20 0.32
GPR88 Q9GZN0 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
EED O75530 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
SCHEMBL11068350 0.82 PDE3B (0.41) PDE3BPDE3AKMT2AKCNH2
SCHEMBL11278612 0.73 LMNA (0.46) KCNH2
SCHEMBL11071895 0.73 PDE3B (0.40) SLC6A2SLC6A4SLC6A3PDE3BPDE3A
SCHEMBL12090742 0.69 CYP19A1 (0.48) KMT2AKCNH2
SCHEMBL11058886 0.69 PDE3B (0.51) PDE3BPDE3A
SCHEMBL11065352 0.69 KMT2A (0.41) PDE3BPDE3AKMT2A
SCHEMBL11069955 0.69 PDE3B (0.50) PDE3BPDE3A
SCHEMBL11067771 0.68 PDE3B (0.41) PDE3BPDE3AKMT2AKCNH2
SCHEMBL11061370 0.68 PDE3B (0.35) PDE3BPDE3AKCNH2
SCHEMBL6588791 0.67 CCR1 (0.41) KCNH2

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