SCHEMBL7310529

SCHEMBL7310529

CN(C)c1ccccc1OC(=O)CN1Cc2cccc(OCCCC(=O)N(Cc3ccccc3)Cc3ccccc3)c2N=C1NC(=O)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE4A P27815 6/20 0.34
PDE4B Q07343 6/20 0.34
PDE4C Q08493 6/20 0.34
PDE4D Q08499 6/20 0.34
BCHE P06276 3/20 0.33
ACHE P22303 3/20 0.33
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GLS O94925 1/20 0.31
CCNE1 P24864 1/20 0.30

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
SCHEMBL7316080 0.93 PDE3B (0.36) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7318132 0.91 NPC1 (0.38) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7316529 0.91 PDE3B (0.35) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7317853 0.90 KCNQ2 (0.39) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7312004 0.87 PDE4A (0.40) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7314019 0.86 PDE3B (0.38) PDE3BPDE3ANPC1LMNAMAPK1
SCHEMBL7317849 0.84 PDE3B (0.35) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7316967 0.82 TSHR (0.37) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7312876 0.80 PDE3B (0.36) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7313053 0.80 PDE3B (0.38) PDE3BPDE3ANPC1LMNAALOX15

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