SCHEMBL7486552

SCHEMBL7486552

CCCCc1n[c]c2c(ncn2C)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL7492422 0.95 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7492889 0.94 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7486537 0.92
SCHEMBL7492209 0.78 TSHR (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7488093 0.78 CNOT7 (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7485746 0.77 TLR8 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7490830 0.76 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7497060 0.76 TLR8 (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7493541 0.76 TLR8 (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7487478 0.76 ADORA2A (0.34) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915093-B1 AMIDE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-11-27 EP disclosed
US-6166016-A Amide derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-12-26 US disclosed
EP-0915093-A1 AMIDE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-05-12 EP disclosed