SCHEMBL10845945

SCHEMBL10845945

CC(=O)OCCOc1ccc2c(c1Cl)CN1C(=N2)NC(=O)C1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 0.45
PDE3A Q14432 20/20 0.45
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
P2RY12 Q9H244 2/20 0.33
MEN1 O00255 1/20 0.33
PDE2A O00408 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10842022 0.95 PDE3B (0.45) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10843357 0.95 PDE3B (0.45) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10844279 0.95 PDE3B (0.44) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10843012 0.95 PDE3B (0.44) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10850368 0.95 PDE3B (0.44) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10845174 0.93 PDE3B (0.45) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10842014 0.91 PDE3B (0.47) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10846795 0.91 PDE3B (0.47) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10844666 0.89 PDE3B (0.48) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10846319 0.89 PDE3B (0.43) PDE3BPDE3ALMNACYP1A2CYP3A4

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-4593029-A Enzyme inhibitor SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed