SCHEMBL8326331

SCHEMBL8326331

CCCCn1c(=O)c(C(=O)O)c(-c2cccc(Br)c2)c2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
ACAT1 P24752 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SOAT1 P35610 1/20 0.45

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
SCHEMBL8325657 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8325752 0.89 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8326052 0.88 ACAT1 (0.48) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6640973 0.87 ACAT1 (0.52) PDE4APDE4BPDE4CPDE4DACAT1
SCHEMBL6634085 0.85 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6638660 0.84 ACAT1 (0.49) ACAT1SOAT1
SCHEMBL6636803 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7610547 0.81 EDNRB (0.49) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8330269 0.80 ACAT1 (0.57) ACAT1SOAT1
SCHEMBL8326054 0.79 ACAT1 (0.68) PDE4APDE4BPDE4CPDE4DCNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0947515-A1 NOVEL NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-10-06 EP disclosed
US-5843957-A Naphthyridine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) 1998-12-01 US disclosed