SCHEMBL11066048

SCHEMBL11066048

CN(Cc1cccnc1)C(=O)CCCOc1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.58
PDE3A Q14432 6/20 0.58
MAOA P21397 8/20 0.53
MAOB P27338 8/20 0.53
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR1A P08908 2/20 0.45
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
SLC6A4 P31645 2/20 0.45
HTR7 P34969 2/20 0.45
DRD3 P35462 2/20 0.45
DRD4 P21917 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TBXAS1 P24557 1/20 0.44

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
SCHEMBL11071181 0.90 PDE3B (0.55) PDE3BPDE3AMAOAMAOBCYP11B1
SCHEMBL24508377 0.85 MAOA (0.57) PDE3BPDE3AMAOAMAOBCYP11B1
SCHEMBL11061852 0.84 MAOA (0.52) PDE3BPDE3AMAOAMAOBCYP11B1
SCHEMBL11071155 0.82 PDE3B (0.61) PDE3BPDE3AMAOAMAOBCYP11B1
Hydrochloric Acid SCHEMBL11667851 0.82 MAOA (0.55) PDE3BPDE3AMAOAMAOBCYP11B1
SCHEMBL11061551 0.81 TRPM8 (0.62) PDE3BPDE3AMAOAMAOBCYP11B1
SCHEMBL11061236 0.81 PDE3B (0.61) PDE3BPDE3AMAOAMAOBHTR1A
SCHEMBL11089096 0.81 PDE3B (0.61) PDE3BPDE3AMAOAMAOBHTR1A
SCHEMBL11067969 0.80 PDE3B (0.59) PDE3BPDE3AMAOAMAOBCYP11B1
SCHEMBL11067926 0.80 PDE3B (0.60) PDE3BPDE3AMAOAMAOBRAB9A

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