SCHEMBL7315968

SCHEMBL7315968

CC(C)NC(=O)CN1Cc2cccc(OCCCC(=O)N(C3CCCCC3)C3CCCCC3)c2N=C1NC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.42
PDE4B Q07343 16/20 0.42
PDE4C Q08493 16/20 0.42
PDE4D Q08499 16/20 0.42
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL7306257 0.89 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7306253 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319317 0.89 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314492 0.84 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7314566 0.82 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311910 0.82 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7309755 0.81 PDE3B (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7306753 0.81 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320082 0.81 PDE3B (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314402 0.80 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B

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