SCHEMBL7312013

SCHEMBL7312013

CC(=O)OCCCCCCN(C(=O)CCCCCCOc1ccc([N+](=O)[O-])c(C=O)c1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.41
PDE3A Q14432 18/20 0.41
P2RY12 Q9H244 10/20 0.41
PDE2A O00408 8/20 0.41
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL7307410 0.98 PDE3B (0.41) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL7319718 0.95 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL7306577 0.92 PDE3B (0.44) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL7316875 0.92 PDE3B (0.42) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL10376014 0.91 PDE3B (0.41) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL10377093 0.91 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL10376785 0.90 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL10376853 0.90 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL10376932 0.89 PDE3B (0.44) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL10374494 0.89 PDE3B (0.47) 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