SCHEMBL7308663

SCHEMBL7308663

Cc1ccc([N+](=O)[O-])c(C=O)c1OCCCCC(=O)N(CCO)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.38
PDE3A Q14432 10/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
CASP6 P55212 1/20 0.34
PDE2A O00408 4/20 0.33
P2RY12 Q9H244 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7312110 0.90 KMT2A (0.37) PDE3BPDE3AKMT2AMEN1GAA
SCHEMBL7310679 0.85 PDE3B (0.38) PDE3BPDE3AALDH1A1MAPTCASP6
SCHEMBL7308660 0.84 MEN1 (0.37) PDE3BPDE3AKMT2AMEN1GAA
SCHEMBL7311387 0.82 PDE3B (0.40) PDE3BPDE3AKMT2AGAAALDH1A1
SCHEMBL7308505 0.81 PDE3B (0.42) PDE3BPDE3AKMT2AMEN1ALDH1A1
SCHEMBL10374470 0.81 PDE3B (0.47) PDE3BPDE3APDE2AP2RY12
SCHEMBL10374494 0.80 PDE3B (0.47) PDE3BPDE3APDE2AP2RY12
SCHEMBL7310470 0.80 KMT2A (0.37) PDE3BPDE3AKMT2AMEN1GAA
SCHEMBL10374992 0.79 PDE3B (0.39) PDE3BPDE3AALDH1A1MAPTNPC1
SCHEMBL10375973 0.79 PDE3B (0.47) PDE3BPDE3APDE2AP2RY12

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