SCHEMBL11087334

SCHEMBL11087334

CC1C(=O)N(C)c2ccc(C3=NNC(=O)C4CCC34)cc2C(C)C1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.46
PDE4B Q07343 11/20 0.46
PDE4C Q08493 11/20 0.46
PDE4D Q08499 11/20 0.46
GPR119 Q8TDV5 2/20 0.43
PDE3B Q13370 5/20 0.41
PDE3A Q14432 5/20 0.41
BRD4 O60885 2/20 0.39

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
SCHEMBL11084157 0.96 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11084942 0.93 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11093836 0.91 GPR119 (0.45) GPR119PDE3BPDE3ABRD4
SCHEMBL11087393 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11090672 0.87 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11089151 0.84 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11080791 0.84 GPR119 (0.47) GPR119PDE3BPDE3ABRD4
SCHEMBL11087896 0.83 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11084932 0.83 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11085723 0.81 PDE3B (0.47) PDE4APDE4BPDE4CPDE4DGPR119

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-4474785-A HYPOTENSIVE AGENTS, ANTICOAGULANTS BASF AKTIENGESELLSCHAFT (DE) 1984-10-02 US disclosed