SCHEMBL10756286

SCHEMBL10756286

COC(=O)CN(C(=O)CCCCCCOc1ccc(Cl)c([N+](=O)[O-])c1C=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
PDE2A O00408 2/20 0.42
P2RY12 Q9H244 2/20 0.42
ALDH1A1 P00352 8/20 0.37
HTT P42858 4/20 0.37
NPSR1 Q6W5P4 4/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 5/20 0.37
MAPK1 P28482 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL10755493 1.00 PDE3B (0.42) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL10754703 0.99 PDE3B (0.42) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL10757796 0.89 ALDH1A1 (0.41) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL10376968 0.87 PDE3B (0.39) PDE3BPDE3AALDH1A1HTTNPSR1
SCHEMBL10375064 0.87 PDE3B (0.39) PDE3BPDE3AALDH1A1HTTNPSR1
SCHEMBL10375880 0.86 PDE3B (0.39) PDE3BPDE3AALDH1A1HTTNPSR1
SCHEMBL10376746 0.84 PDE3B (0.41) PDE3BPDE3AALDH1A1HTTNPSR1
SCHEMBL10753927 0.83 PDE3B (0.44) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL10752635 0.83 PDE3B (0.44) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL10376966 0.83 MAPK1 (0.37) PDE3BPDE3AALDH1A1NPSR1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4690925-A ANTITHROMBOTIC ACTIVITY, CARDIOTONIC AGENTS SYNTEX (U.S.A.) INC. (US) 1987-09-01 US disclosed
EP-0153152-A2 (2-Oxo-1,2,3,5-tetrahydroimidazo-/2,1-b/quinnazolinyl)-oxyalkylamides, their preparation, compositions containing them and their use in making medicaments SYNTEX (U.S.A.) INC. (US) 1985-08-28 EP disclosed