SCHEMBL7317853

SCHEMBL7317853

CN(C)c1ccccc1NC(=O)CN1Cc2cccc(OCCCC(=O)N(Cc3ccccc3)Cc3ccccc3)c2N=C1NC(=O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.39
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
GAA P10253 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7316967 0.91 TSHR (0.37) KCNQ2PDE3BPDE3APDE4APDE4B
SCHEMBL7310529 0.90 PDE3B (0.35) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7320125 0.89 PDE4A (0.43) KCNQ2PDE3BPDE3APDE4APDE4B
SCHEMBL7311655 0.86 PDE3B (0.38) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7317849 0.84 PDE3B (0.35) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7316080 0.83 PDE3B (0.36) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7316529 0.81 PDE3B (0.35) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7318132 0.81 NPC1 (0.38) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7318644 0.80 PDE3B (0.35) KCNQ2PDE3BPDE3APDE4APDE4B
SCHEMBL7316957 0.79 PDE3B (0.35) KCNQ2PDE3BPDE3APDE4APDE4B

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