SCHEMBL28628153

SCHEMBL28628153

CC1(C)OB(c2ccc(Oc3ccc(C#N)cc3)cc2CCl)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.45
PDE4A P27815 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
CHRM1 P11229 1/20 0.45
ADRA1A P35348 1/20 0.45
PDE1A P54750 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE7A Q13946 1/20 0.45
PDE3A Q14432 1/20 0.45
HTR2A P28223 2/20 0.36
KCNH2 Q12809 2/20 0.36
TDP2 O95551 1/20 0.35
SLC6A4 P31645 2/20 0.34
PGR P06401 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
CYP19A1 P11511 2/20 0.34
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 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
SCHEMBL23030349 0.88 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL20299566 0.88 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10268586 0.83 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL23030124 0.82 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL20568239 0.82 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL21749923 0.81 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL28641413 0.81 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10268604 0.80 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL23080105 0.80 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10269295 0.78 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCHRM1

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-113336781-A Preparation method of clitorium 江西同和药业股份有限公司 2021-09-03 CN disclosed