SCHEMBL7308149

SCHEMBL7308149

CC(C)NC(=O)CN1Cc2c(cccc2OCCCC(=O)N(C2CCCCC2)C2CCCCC2)N=C1NC(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
PDE4A P27815 13/20 0.38
PDE4B Q07343 13/20 0.38
PDE4C Q08493 13/20 0.38
PDE4D Q08499 13/20 0.38
TACR1 P25103 1/20 0.35
HPGD P15428 1/20 0.35
NLRP1 Q9C000 1/20 0.35
HTR2A P28223 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7317927 0.93 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7309882 0.88 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7320082 0.88 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7311578 0.84 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7318475 0.83 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7306257 0.82 PDE4A (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7311520 0.80 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7319496 0.77 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7311910 0.75 PDE4A (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7317933 0.74 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C

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