SCHEMBL11090158

SCHEMBL11090158

CC1CC(C)c2cc(C3=NNC(=O)C4CCC34)ccc2NC1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.48
PDE4B Q07343 11/20 0.48
PDE4C Q08493 11/20 0.48
PDE4D Q08499 11/20 0.48
GPR119 Q8TDV5 3/20 0.43
PDE3B Q13370 7/20 0.42
PDE3A Q14432 7/20 0.42

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
SCHEMBL11090039 0.95 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11091967 0.92 GPR119 (0.46) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11092584 0.86 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11088031 0.86 PDE3B (0.50) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11092621 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11093356 0.85 PDE3B (0.49) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11091612 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11080437 0.82 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11085727 0.82 PDE3B (0.51) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL11089162 0.81 PDE4A (0.52) 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