SCHEMBL7318642

SCHEMBL7318642

CNN(C(=O)CN1Cc2c(cccc2OCCCC(=O)N(Cc2ccccc2)Cc2ccccc2)N=C1NC(=O)c1ccc(N(C)C)cc1)c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ITK Q08881 1/20 0.33
DRD4 P21917 1/20 0.32
LMNA P02545 2/20 0.32
ALOX15 P16050 2/20 0.32
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PARP1 P09874 1/20 0.31
MCHR1 Q99705 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7316952 0.87 PDE3B (0.34) MAPTPDE3BPDE3ALMNAALOX15
SCHEMBL7317951 0.86 PDE3B (0.35) MAPTPDE3BPDE3ATP53THRB
SCHEMBL7308378 0.86 PDE3B (0.39) MAPTPDE3BPDE3AMEN1KMT2A
SCHEMBL7318644 0.86 PDE3B (0.35) MAPTPDE3BPDE3ADRD2DRD3
SCHEMBL7313141 0.85 PDE3B (0.37) MAPTPDE3BPDE3ALMNAALOX15
SCHEMBL7316772 0.79 PDE3B (0.34) MAPTPDE3BPDE3AMEN1KMT2A
SCHEMBL7317849 0.78 PDE3B (0.35) MAPTPDE3BPDE3AMEN1KMT2A
SCHEMBL7312876 0.78 PDE3B (0.36) PDE3BPDE3ALMNAALOX15TSHR
SCHEMBL7306654 0.78 PDE3B (0.34) MAPTPDE3BPDE3ATP53MEN1
SCHEMBL7316963 0.77 NPC1 (0.36) MAPTPDE3BPDE3ALMNAALOX15

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