SCHEMBL11095161

SCHEMBL11095161

O=C1CCc2cc(OCCCC(=O)N(CCO)CC3CCCCCCC3)ccc2N1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.67
PDE3A Q14432 17/20 0.67
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
PDE4D Q08499 2/20 0.47
MEN1 O00255 1/20 0.47
ABCC4 O15439 1/20 0.47
CACNA1F O60840 1/20 0.47
ABCB11 O95342 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
THPO P40225 1/20 0.47
OPRK1 P41145 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL11067531 1.00 PDE3B (0.67) PDE3BPDE3AMAOAMAOBPDE4D
SCHEMBL11067264 0.97 PDE3B (0.63) PDE3BPDE3AMAOAMAOBPDE4D
SCHEMBL11062250 0.95 PDE3B (0.65) PDE3BPDE3AMAOAMAOBPDE4D
SCHEMBL11067800 0.93 PDE3B (0.62) PDE3BPDE3AMAOAMAOBPDE4D
SCHEMBL11063195 0.92 PDE3B (0.61) PDE3BPDE3AMAOAMAOBPDE4D
SCHEMBL11066234 0.92 PDE3B (0.68) PDE3BPDE3AMAOAMAOBPDE4D
SCHEMBL11071190 0.92 PDE3B (0.58) PDE3BPDE3AMAOAMAOBPDE4D
SCHEMBL11062098 0.91 PDE3B (0.60) PDE3BPDE3AMAOAMAOBPDE4D
SCHEMBL11063117 0.88 PDE3B (0.64) PDE3BPDE3AMAOAMAOBPDE4D
SCHEMBL11064564 0.88 PDE3B (0.63) PDE3BPDE3AMAOAMAOBPDE4D

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