SCHEMBL10475461

SCHEMBL10475461

CC1CC(=O)NN=C1c1ccc(OCC(=O)NCCc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.51
PDE3A Q14432 9/20 0.51
PDE4A P27815 4/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE4D Q08499 4/20 0.48
LMNA P02545 4/20 0.45
XBP1 P17861 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 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
SCHEMBL10475273 0.93 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10474223 0.91 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10475459 0.88 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10474317 0.87 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10475454 0.86 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10431227 0.86 SMN1; SMN2 (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10475279 0.85 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10475456 0.84 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10431212 0.82 BCHE (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9836412 0.79 ALDH1A1 (0.51) LMNAALDH1A1L3MBTL1GAACYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914093-A CARDIOVASCULAR DISORDERS SANKYO COMPANY LIMITED (JP) 1990-04-03 US claimed
EP-0178189-A2 Pyridazinone derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-04-16 EP claimed