SCHEMBL11116023

SCHEMBL11116023

CCC(CC(C(=O)NC)N1CCCC2CCCCC21)Oc1cccc2c1N=C1NC(=O)CN1C2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.39
PDE3A Q14432 18/20 0.39
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
P2RY12 Q9H244 1/20 0.32

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
SCHEMBL11116169 0.85 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11119202 0.84 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10754387 0.80 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10757648 0.75 PDE3B (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10377197 0.71 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10754103 0.70 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10755099 0.70 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10755971 0.68 PDE3B (0.42) PDE3BPDE3AP2RY12
SCHEMBL11116596 0.67 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11114939 0.66 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C

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
EP-0116948-A2 (2-Oxo-1,2,3,5-tetrahydroimidazo-(2,1-b)quinazolinyl)-oxyalkyl-amides SYNTEX (U.S.A.) INC. (US) 1984-08-29 EP disclosed