SCHEMBL10333751

SCHEMBL10333751

CC1(C)C(c2ccc(-n3ccnc3)cc2)=Nc2ccc(C3=NNC(=O)CC3)cc21

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.65
PDE3A Q14432 16/20 0.65
PDE4A P27815 6/20 0.65
PDE4B Q07343 6/20 0.65
PDE4C Q08493 6/20 0.65
PDE4D Q08499 6/20 0.65
LMNA P02545 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 1/20 0.65
PDE2A O00408 1/20 0.46
CRBN Q96SW2 2/20 0.43
TBXAS1 P24557 1/20 0.41

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
SCHEMBL9367299 0.85 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9367616 0.82 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9371436 0.82 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9367690 0.81 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
Imazodan SCHEMBL148436 0.80 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9368365 0.79 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
Imazodan SCHEMBL124243 0.79 PDE3B (0.97) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9367527 0.79 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9367104 0.79 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9368490 0.78 PDE3B (0.53) 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
US-4925845-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-05-15 US disclosed