SCHEMBL9727191

SCHEMBL9727191

CN1CCc2c1n(-c1cccc(C(F)(F)F)c1)c1ncccc1c2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
HTR6 P50406 2/20 0.40
CYP1A2 P05177 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
NPY5R Q15761 1/20 0.40
PPARG P37231 1/20 0.39
DRD2 P14416 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
MAP3K14 Q99558 1/20 0.38
ALOX5 P09917 1/20 0.38
MAT2A P31153 1/20 0.38
ELANE P08246 1/20 0.38
BRD9 Q9H8M2 1/20 0.38

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
SCHEMBL9727141 0.85 MAPT (0.46) PDE4BPDE4DHTR6CYP1A2DRD2
SCHEMBL9726994 0.84 PDE4A (0.47) PDE4BPDE4DCYP1A2
SCHEMBL10658791 0.78 PDE4B (0.42) PDE4BPDE4DHTR6CYP1A2TRPV1
SCHEMBL9761878 0.77 KCNK3 (0.50) PDE4BPDE4DTRPV1NPY5RPPARG
SCHEMBL10660631 0.76 PDE4B (0.42) PDE4BPDE4DHTR6CYP1A2TRPV1
SCHEMBL10655441 0.72 PDE4B (0.42) PDE4BPDE4DCYP1A2TRPV1NPY5R
SCHEMBL5871981 0.71 GAA (0.50) PDE4BPDE4DHTR6CYP1A2TRPV1
SCHEMBL4194695 0.71 PDE4B (0.47) PDE4BPDE4DCYP1A2TRPV1NPY5R
SCHEMBL4342841 0.71 TP53 (0.45) PDE4BPDE4DHTR6CYP1A2TRPV1
SCHEMBL29425535 0.71 CTSK (0.52) PDE4BPDE4DCYP1A2TRPV1SMN1; SMN2

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-5126352-A Antiallergy, antiinflammatory, antiulcer, hypotensive, antibody inhibitors SCHERING CORPORATION (US) 1992-06-30 US claimed