SCHEMBL10548480

SCHEMBL10548480

O=C1CCC(c2ccc(-n3cccc3)cn2)=NN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 0.47
PDE3A Q14432 13/20 0.47
PDE4B Q07343 5/20 0.47
PDE4A P27815 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDE2A O00408 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PDE5A O76074 1/20 0.41
POLB P06746 1/20 0.41
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37

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
SCHEMBL7287604 0.80 PDE3B (0.70) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL3412583 0.75 SMN1; SMN2 (0.47) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL10551396 0.73 SMN1; SMN2 (0.46) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL11568322 0.71 SMN1; SMN2 (0.59) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7318837 0.70 PDE3B (0.68) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL20204020 0.67 MAPT (0.45) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL15788581 0.65 POLB (0.53) POLB
SCHEMBL7286021 0.65 PDE3B (0.70) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL31049765 0.64 KDM4E (0.52) LMNACYP1A2TSHRMAPK1SMN1; SMN2
SCHEMBL10353452 0.64 SMN1; SMN2 (0.81) PDE3BPDE3APDE4BPDE4APDE4C

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-4847251-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 US disclosed