SCHEMBL7311002

SCHEMBL7311002

C=c1c(=O)[nH]c2n1Cc1cccc(OCCCCCC(=O)N(C(C)O)C3CCCCC3)c1N=2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 0.52
PDE3A Q14432 20/20 0.52
P2RY12 Q9H244 4/20 0.35
PDE2A O00408 3/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL7311790 0.89 PDE3B (0.65) PDE3BPDE3AP2RY12PDE2APDE4A
SCHEMBL7312727 0.86 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2APDE4A
SCHEMBL7313085 0.86 PDE3B (0.69) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7311008 0.85 PDE3B (0.51) PDE3BPDE3A
SCHEMBL7318739 0.80 PDE3B (0.80) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7318108 0.80 PDE3B (0.44) PDE3BPDE3A
SCHEMBL7311101 0.79 PDE3B (0.54) PDE3BPDE3A
SCHEMBL7317329 0.79 PDE3B (0.56) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7309779 0.79 PDE3B (0.54) PDE3BPDE3AP2RY12PDE2APDE4A
SCHEMBL7317178 0.79 PDE3B (0.51) PDE3BPDE3AP2RY12PDE4APDE4B

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