SCHEMBL7307768

SCHEMBL7307768

C=c1c(=O)[nH]c2n1Cc1cc(OCCC(C(N)=O)C3CNCCO3)ccc1N=2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.51
PDE3A Q14432 16/20 0.51
PDE4A P27815 4/20 0.34
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
PDE4D Q08499 4/20 0.34
P2RY12 Q9H244 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
SCHEMBL10374505 0.81 PDE3B (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7313127 0.79 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7307795 0.79 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7320840 0.79 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7304518 0.79 PDE3B (0.54) PDE3BPDE3AP2RY12
SCHEMBL7318831 0.77 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7307441 0.77 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7313755 0.74 HTR2A (0.31) PDE3BPDE3A
SCHEMBL7316075 0.73 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7318649 0.72 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D

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