SCHEMBL4774136

SCHEMBL4774136

Oc1ccc(NCCCc2ncc[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
KLK1 P06870 1/20 0.45
KLK5 Q9Y337 1/20 0.45
TBXAS1 P24557 2/20 0.44
PTH1R Q03431 1/20 0.40
FPR2 P25090 1/20 0.38
NAMPT P43490 9/20 0.38
PBK Q96KB5 1/20 0.38

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
SCHEMBL4779626 0.91 TERT (0.58) TERTTAAR1KLK1KLK5TBXAS1
SCHEMBL6572107 0.85 TERT (0.47) TERTTAAR1KLK1KLK5TBXAS1
SCHEMBL4779375 0.82 TERT (0.47) TERTTAAR1KLK1KLK5TBXAS1
SCHEMBL4776719 0.81 TAAR1 (0.70) TERTTAAR1KLK1KLK5FPR2
SCHEMBL5191160 0.79 ALDH1A1 (0.48) TERTTAAR1
SCHEMBL5526585 0.79 TERT (0.47) TERTTAAR1KLK1KLK5TBXAS1
SCHEMBL6017533 0.78 TBXAS1 (0.53) TERTTAAR1TBXAS1
SCHEMBL8309447 0.78 TBXAS1 (0.49) TERTTAAR1TBXAS1
SCHEMBL11002644 0.75 TBXAS1 (0.58) TBXAS1FPR2
SCHEMBL5163649 0.75 TERT (0.41) TERTTAAR1KLK1KLK5TBXAS1

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-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed