SCHEMBL7347456

SCHEMBL7347456

CC(=O)c1cc(OCCCCCC(=O)N(C2CCCCC2)C2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 0.45
PDE3A Q14432 15/20 0.45
P2RY12 Q9H244 7/20 0.45
PDE2A O00408 6/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE5A O76074 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
PTAFR P25105 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL7306081 0.96 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL10376741 0.91 PDE3B (0.54) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL10376988 0.91 PDE3B (0.54) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL10376673 0.90 PDE3B (0.54) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL10375019 0.88 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7309374 0.87 PDE3B (0.41) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL7320827 0.87 PDE3B (0.41) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL7315355 0.87 PDE3B (0.55) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL10375828 0.87 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7319061 0.86 PDE3B (0.42) PDE3BPDE3AP2RY12PDE2AALDH1A1

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