SCHEMBL11064367

SCHEMBL11064367

O=C1CCc2cc(OCCCCC(=O)N(CCO)C3CCCCC3)ccc2N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.70
PDE3A Q14432 18/20 0.70
PDE4D Q08499 2/20 0.50
MEN1 O00255 1/20 0.50
ABCC4 O15439 1/20 0.50
CACNA1F O60840 1/20 0.50
ABCB11 O95342 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
THPO P40225 1/20 0.50
OPRK1 P41145 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
CACNA1D Q01668 1/20 0.50

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
SCHEMBL11061301 0.99 PDE3B (0.69) PDE3BPDE3APDE4DMEN1ABCC4
SCHEMBL11062188 0.97 PDE3B (0.75) PDE3BPDE3APDE4DPDE4APDE4B
SCHEMBL11061168 0.97 PDE3B (0.75) PDE3BPDE3APDE4DPDE4APDE4B
SCHEMBL11067894 0.97 PDE3B (0.75) PDE3BPDE3APDE4DPDE4APDE4B
SCHEMBL11065924 0.94 PDE3B (0.63) PDE3BPDE3APDE4DMEN1ABCC4
SCHEMBL11065042 0.92 PDE3B (0.72) PDE3BPDE3APDE4DPDE4APDE4B
SCHEMBL11064774 0.92 PDE3B (0.72) PDE3BPDE3APDE4DPDE4APDE4B
SCHEMBL11058941 0.92 PDE3B (0.59) PDE3BPDE3APDE4DMEN1ABCC4
SCHEMBL11067728 0.91 PDE3B (0.61) PDE3BPDE3APDE4DMEN1ABCC4
SCHEMBL11067573 0.91 PDE3B (0.71) PDE3BPDE3APDE4DPDE4APDE4B

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