SCHEMBL763181

SCHEMBL763181

CCCCn1c([C@@H]2CCCNC2)nc2c(OC)cccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.51
CHRM1 P11229 2/20 0.48
HRH1 P35367 2/20 0.48
CASR P41180 1/20 0.48
ADORA2A P29274 2/20 0.46
HTR2A P28223 3/20 0.43
NPY1R P25929 9/20 0.42

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
SCHEMBL740844 0.91 CHRM1 (0.50) TLR8CHRM1HRH1ADORA2ANPY1R
SCHEMBL740843 0.91 CHRM1 (0.50) TLR8CHRM1HRH1ADORA2ANPY1R
SCHEMBL763158 0.81 HRH1 (0.68) TLR8CHRM1HRH1
SCHEMBL741172 0.79 CHRM1 (0.50) CHRM1HRH1NPY1R
SCHEMBL741173 0.79 CHRM1 (0.50) CHRM1HRH1NPY1R
SCHEMBL7045696 0.77 CHRM1 (0.48) CHRM1HRH1ADORA2ANPY1R
SCHEMBL7044486 0.76 CHRM1 (0.44) CHRM1HRH1ADORA2ANPY1R
SCHEMBL7043993 0.75 CHRM1 (0.46) CHRM1HRH1ADORA2ANPY1R
SCHEMBL7041213 0.75 CHRM1 (0.46) CHRM1HRH1ADORA2ANPY1R
SCHEMBL762531 0.75 TLR8 (0.44) TLR8CASRADORA2A

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-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed