SCHEMBL27593263

SCHEMBL27593263

CCc1ccccc1N(C)CCCCC(=O)c1ccc2c(c1)CNC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
DRD4 P21917 1/20 0.36
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
TP53 P04637 1/20 0.34
EPHX2 P34913 1/20 0.33
CRBN Q96SW2 2/20 0.33
SLC6A4 P31645 1/20 0.33
THRA P10827 1/20 0.32
ACHE P22303 3/20 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
SCHEMBL6034218 0.81 ACHE (0.39) PDE3BPDE3AHTR1AHTR2AHTR7
SCHEMBL6035141 0.80 THRA (0.46) PDE3BPDE3AHTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL4854986 0.80 ACHE (0.39) PDE3BPDE3AHTR1AHTR2AHTR7
SCHEMBL6034269 0.80 ACHE (0.42) PDE3BPDE3AACHE
SCHEMBL27593268 0.80 PDE3B (0.40) PDE3BPDE3AHTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL4856597 0.80 THRA (0.45) PDE3BPDE3AHTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL4855018 0.79 ACHE (0.43) PDE3BPDE3AACHE
SCHEMBL4859709 0.76 PDE3B (0.44) PDE3BPDE3AHTR1AHTR2AHTR7
SCHEMBL27611240 0.75 TSHR (0.35) HTR1AHTR2AHTR7DRD3DRD2
SCHEMBL6034243 0.72 ACHE (0.40) PDE3BPDE3AHTR1AHTR2AHTR7

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
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN disclosed