SCHEMBL10845367

SCHEMBL10845367

CC1C(=O)NC2=Nc3ccc(OCCCCO)cc3CN21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 0.66
PDE3A Q14432 20/20 0.66
P2RY12 Q9H244 1/20 0.50

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
SCHEMBL10845603 0.99 PDE3B (0.65) PDE3BPDE3AP2RY12
SCHEMBL10843137 0.99 PDE3B (0.65) PDE3BPDE3AP2RY12
SCHEMBL10844882 0.99 PDE3B (0.65) PDE3BPDE3AP2RY12
SCHEMBL10843923 0.97 PDE3B (0.67) PDE3BPDE3AP2RY12
SCHEMBL10845172 0.94 PDE3B (0.65) PDE3BPDE3AP2RY12
SCHEMBL10847199 0.89 PDE3B (0.65) PDE3BPDE3AP2RY12
SCHEMBL10843825 0.88 PDE3B (0.64) PDE3BPDE3AP2RY12
SCHEMBL10845543 0.88 PDE3B (0.64) PDE3BPDE3AP2RY12
SCHEMBL10843208 0.88 PDE3B (0.64) PDE3BPDE3AP2RY12
SCHEMBL10841744 0.88 PDE3B (0.64) PDE3BPDE3AP2RY12

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-4593029-A Enzyme inhibitor SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed