SCHEMBL7320580

SCHEMBL7320580

CCCCCC(OC(C)=O)N(C(=O)CCCCCCOc1ccc([N+](=O)[O-])c(C(C)O)c1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 0.40
PDE3A Q14432 15/20 0.40
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
P2RY12 Q9H244 4/20 0.35
PDE2A O00408 3/20 0.35
PPARG P37231 1/20 0.35
PLA2G4B P0C869 1/20 0.34

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
SCHEMBL7310703 0.92 PDE3B (0.40) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7310962 0.89 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7312008 0.89 SIRT5 (0.38) PDE3BPDE3AP2RY12PDE2APLA2G4B
SCHEMBL10375825 0.85 PDE3B (0.45) PDE3BPDE3ACYP1A2CYP3A4CYP2C19
SCHEMBL7310371 0.84 PDE3B (0.42) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL10374532 0.82 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7321124 0.82 PDE3B (0.43) PDE3BPDE3ACYP1A2CYP3A4CYP2C19
SCHEMBL7307406 0.81 PDE3B (0.39) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10377348 0.81 PDE3B (0.52) PDE3BPDE3ACYP1A2CYP3A4CYP2C19
SCHEMBL10375674 0.80 PDE3B (0.43) PDE3BPDE3ACYP1A2CYP3A4CYP2C19

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