SCHEMBL7316947

SCHEMBL7316947

CNC(=O)CN1Cc2ccc(OCCCC(=O)NN3CCOCC3)cc2N=C1NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.45
PDE4B Q07343 4/20 0.45
PDE4C Q08493 4/20 0.45
PDE4D Q08499 4/20 0.45
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
AVPR1B P47901 2/20 0.37
MAPK1 P28482 1/20 0.36
LIPE Q05469 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE2A O00408 1/20 0.35
P2RY12 Q9H244 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL7320678 0.92 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310801 0.91 PDE3B (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7321538 0.91 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7321093 0.91 PDE3B (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317857 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7305500 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318948 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316580 0.83 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320570 0.83 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310769 0.82 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B

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-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed