SCHEMBL15599808

SCHEMBL15599808

CCCCCCn1cc(C(C)NC2CC2)nc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.43
CNR2 P34972 10/20 0.38
CNR1 P21554 6/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL17013295 0.87 HPGD (0.36) CNR2
SCHEMBL19826792 0.80 TLR8 (0.44) TLR8CNR2CNR1TSHR
SCHEMBL649215 0.71 TSHR (0.47) TLR8CNR2TSHR
SCHEMBL17013306 0.71 GAA (0.37) CNR2CNR1
SCHEMBL651866 0.70 TLR8 (0.66) TLR8TSHR
SCHEMBL19826534 0.70 SIGMAR1 (0.36) TLR8
SCHEMBL5298716 0.69 TLR8 (0.60) TLR8TSHR
SCHEMBL5290885 0.69 TLR8 (0.60) TLR8TSHR
SCHEMBL5811655 0.69 TLR8 (0.60) TLR8TSHR
SCHEMBL5293056 0.69 TLR8 (0.60) TLR8TSHR

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
WO-2014042263-A1 NOVEL RENIN INHIBITOR 田辺三菱製薬株式会社 (JP) 2014-03-20 WO disclosed