SCHEMBL7318644

SCHEMBL7318644

CN(C)c1ccc(C(=O)NC2=Nc3cccc(OCCCC(=O)N(Cc4ccccc4)Cc4ccccc4)c3CN2CC(=O)Nc2ccccc2N(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
DRD4 P21917 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
PDE4A P27815 1/20 0.32

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
SCHEMBL7317951 0.90 PDE3B (0.35) PDE3BPDE3AMEN1KMT2ADRD2
SCHEMBL7316957 0.88 PDE3B (0.35) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL7308383 0.87 PDE3B (0.41) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL7313145 0.87 PDE4A (0.43) PDE3BPDE3ALMNANPC1ALOX15
SCHEMBL7318642 0.86 MAPT (0.34) PDE3BPDE3AMEN1KMT2ADRD2
SCHEMBL7320482 0.82 NPC1 (0.36) PDE3BPDE3AMEN1KMT2ANPC1
SCHEMBL7312230 0.81 KMT2A (0.39) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL7317853 0.80 KCNQ2 (0.39) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL7312876 0.80 PDE3B (0.36) PDE3BPDE3ALMNANPC1ALOX15
SCHEMBL7309234 0.79 PDE3B (0.35) PDE3BPDE3AMEN1KMT2ALMNA

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