SCHEMBL7311655

SCHEMBL7311655

CN(Cc1ccccc1)C(=O)CCCOc1cccc2c1N=C(NC(=O)Cc1ccccc1)N(CC(=O)Nc1ccccc1Cl)C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
TSHR P16473 3/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNA5 P22460 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GAA P10253 1/20 0.34
ACKR3 P25106 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7320179 0.92 PDE4A (0.38) PDE3BPDE3ATSHRPOLBL3MBTL1
SCHEMBL7317651 0.91 PDE3B (0.38) PDE3BPDE3ATSHRPOLBL3MBTL1
SCHEMBL7314019 0.90 PDE3B (0.38) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7307661 0.89 PDE4A (0.43) PDE3BPDE3ATSHRPOLBL3MBTL1
SCHEMBL7317853 0.86 KCNQ2 (0.39) PDE3BPDE3ATSHRL3MBTL1PDE4A
SCHEMBL7313053 0.81 PDE3B (0.38) PDE3BPDE3ATSHRPDE4APDE4B
SCHEMBL7303658 0.81 PDE3B (0.39) PDE3BPDE3ATSHRPDE4APDE4B
SCHEMBL7313872 0.81 PDE3B (0.37) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7321069 0.79 PDE4A (0.43) PDE3BPDE3ATSHRL3MBTL1KCNA5
SCHEMBL7320482 0.79 NPC1 (0.36) PDE3BPDE3ATSHRKCNA5PDE4A

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