SCHEMBL8905548

SCHEMBL8905548

CCCCc1nc2ccc(C3=NNC(=O)CC3)cc2n1-c1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.37
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
LMNA P02545 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PDE2A O00408 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL8906651 0.96 GPR119 (0.38) GPR119PDE3BPDE3AMAPTMEN1
SCHEMBL8906629 0.94 GPR119 (0.39) GPR119PDE3BPDE3AMAPTMEN1
SCHEMBL8905598 0.84 GPR119 (0.40) GPR119PDE3BPDE3ALMNANPY1R
SCHEMBL8906188 0.84 PDE4A (0.33)
SCHEMBL8905936 0.83 GPR119 (0.35) GPR119MAPT
SCHEMBL8907613 0.83 AGTR1 (0.37) PDE3ANPSR1KDM4EALDH1A1
SCHEMBL8905755 0.82 AGTR1 (0.33)
SCHEMBL8907406 0.82 LMNA (0.33) LMNA
SCHEMBL8906938 0.81 AGTR1 (0.32)
SCHEMBL8905737 0.81 PDE4B (0.40) PDE3BPDE3A

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-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed