SCHEMBL7310679

SCHEMBL7310679

Cc1ccc(OCCCCC(=O)N(CCO)C2CCCCC2)c([N+](=O)[O-])c1C=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.38
PDE3A Q14432 11/20 0.38
CASP6 P55212 1/20 0.34
PDE2A O00408 5/20 0.33
P2RY12 Q9H244 5/20 0.33
ALDH1A1 P00352 5/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL7320492 0.91 CASP6 (0.36) PDE3BPDE3ACASP6PDE2AP2RY12
SCHEMBL10375880 0.86 PDE3B (0.39) PDE3BPDE3AALDH1A1HTTNPSR1
SCHEMBL10375064 0.85 PDE3B (0.39) PDE3BPDE3AALDH1A1HTTNPSR1
SCHEMBL10376968 0.85 PDE3B (0.39) PDE3BPDE3AALDH1A1HTTNPSR1
SCHEMBL7308663 0.85 PDE3B (0.38) PDE3BPDE3ACASP6PDE2AP2RY12
SCHEMBL7310674 0.84 SMN1; SMN2 (0.35) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL10376981 0.84 PDE3B (0.39) PDE3BPDE3ACASP6PDE2AP2RY12
SCHEMBL10376746 0.83 PDE3B (0.41) PDE3BPDE3AALDH1A1HTTNPSR1
SCHEMBL7320468 0.83 PDE3B (0.38) PDE3BPDE3ACASP6PDE2AP2RY12
SCHEMBL10376004 0.83 PDE3B (0.38) PDE3BPDE3ACASP6PDE2AP2RY12

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