SCHEMBL7307743

SCHEMBL7307743

CCC(=O)c1ccc(OCCCC(=O)N(CC)C2CCCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.49
PDE3A Q14432 14/20 0.49
KMT2A Q03164 2/20 0.43
CASP6 P55212 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
P2RY12 Q9H244 3/20 0.42
PDE2A O00408 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
PDE5A O76074 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PTAFR P25105 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42

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
SCHEMBL7317830 0.86 PDE3B (0.49) PDE3BPDE3AKMT2ACASP6L3MBTL1
SCHEMBL10751653 0.84 PDE3B (0.48) PDE3BPDE3AKMT2AP2RY12PDE2A
SCHEMBL7315313 0.83 PDE3B (0.47) PDE3BPDE3AKMT2ACASP6L3MBTL1
SCHEMBL7312833 0.82 PDE3B (0.42) PDE3BPDE3AKMT2AP2RY12PDE2A
SCHEMBL10376849 0.81 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7319225 0.81 PDE3B (0.43) PDE3BPDE3AKMT2AP2RY12PDE2A
SCHEMBL7318251 0.77 PDE3B (0.41) PDE3BPDE3AKMT2AP2RY12PDE2A
SCHEMBL10374906 0.77 PDE3B (0.49) PDE3BPDE3AKMT2AP2RY12PDE2A
SCHEMBL7317749 0.77 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7306081 0.77 PDE3B (0.46) PDE3BPDE3AKMT2AP2RY12PDE2A

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed