SCHEMBL7307406

SCHEMBL7307406

CCC(OC(C)=O)N(C(=O)CCCCCOc1ccc([N+](=O)[O-])c(C=O)c1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.39
PDE3A Q14432 18/20 0.39
P2RY12 Q9H244 8/20 0.39
PDE2A O00408 7/20 0.39
SIRT5 Q9NXA8 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL7319711 0.97 PDE3B (0.40) PDE3BPDE3AP2RY12PDE2ASIRT5
SCHEMBL7312008 0.92 SIRT5 (0.38) PDE3BPDE3AP2RY12PDE2ASIRT5
SCHEMBL10376784 0.88 PDE3B (0.41) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL7310703 0.88 PDE3B (0.40) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10374493 0.87 PDE3B (0.42) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL10374867 0.87 PDE3B (0.40) PDE3BPDE3AP2RY12PDE2ASIRT5
SCHEMBL10374468 0.86 PDE3B (0.42) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL7310962 0.85 PDE3B (0.43) PDE3BPDE3AP2RY12HPGD
SCHEMBL7307466 0.83 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL7306549 0.83 PDE3B (0.54) PDE3BPDE3AP2RY12PDE2AHPGD

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