SCHEMBL7320482

SCHEMBL7320482

CN(Cc1ccccc1)C(=O)CCCOc1cccc2c1CN(CC(=O)Nc1ccccc1Cl)C(NC(=O)Nc1ccccc1N(C)C)=N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
KCNQ2 O43526 1/20 0.34
PPIA P62937 1/20 0.34
KCNA5 P22460 1/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 2/20 0.33
ACKR3 P25106 1/20 0.33
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
GLA P06280 1/20 0.32
MAPK1 P28482 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
SCHEMBL7309234 0.91 PDE3B (0.35) PDE3BPDE3AKCNQ2KCNA5TSHR
SCHEMBL7312230 0.86 KMT2A (0.39) PDE3BPDE3ATSHRGAAMAPT
SCHEMBL7321069 0.86 PDE4A (0.43) PDE3BPDE3AKCNA5TSHRGAA
SCHEMBL7316957 0.85 PDE3B (0.35) NPC1PDE3BPDE3AKCNQ2TSHR
SCHEMBL7318644 0.82 PDE3B (0.35) NPC1RAB9APDE3BPDE3AKCNQ2
SCHEMBL7320179 0.82 PDE4A (0.38) NPC1RAB9APDE3BPDE3APPIA
SCHEMBL7308383 0.81 PDE3B (0.41) NPC1PDE3BPDE3AKCNQ2TSHR
SCHEMBL7313145 0.80 PDE4A (0.43) NPC1PDE3BPDE3AKCNQ2TSHR
SCHEMBL7311655 0.79 PDE3B (0.38) PDE3BPDE3AKCNA5TSHRGAA
SCHEMBL7317651 0.77 PDE3B (0.38) NPC1RAB9APDE3BPDE3AKCNA5

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