SCHEMBL10558463

SCHEMBL10558463

O=C1CCC(c2ccc3[nH]c(-c4ccsc4)cc3c2)=NN1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.44
PDE3A Q14432 14/20 0.44
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
KCNH2 Q12809 1/20 0.38

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
SCHEMBL9667675 0.84 KCNH2 (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9669040 0.83 SMN1; SMN2 (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9667476 0.82 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9669024 0.82 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9669200 0.82 PDE3B (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9667792 0.81 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9669258 0.81 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9669379 0.81 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10770050 0.81 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11213151 0.79 SMN1; SMN2 (0.59) 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-4851406-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE BOEHRINGER MANNHEIM GMBH (DE) 1989-07-25 US disclosed