SCHEMBL28830748

SCHEMBL28830748

COc1ccc([C@@H]2CN(C(=O)O)C[C@@]2(C)C(C)O)cc1OC1CN(c2ccc(C)cn2)C1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.68
PDE4A P27815 5/20 0.44
PDE4C Q08493 5/20 0.44
PDE4D Q08499 5/20 0.44
PDE7A Q13946 1/20 0.42
TACR3 P29371 1/20 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
SCHEMBL19207180 1.00 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL16046102 0.90 PDE4B (0.85) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL29895373 0.90 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL17559325 0.90 PDE4B (0.85) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL17570898 0.90 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL18872918 0.90 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL29895360 0.90 PDE4B (0.85) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL20420874 0.90 PDE4B (0.85) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL17719253 0.87 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL16046162 0.87 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DPDE7A

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
CN-107001327-B Crystal and pharmaceutical composition and application thereof 伊莱利利公司 2022-09-02 CN disclosed