SCHEMBL4779375

SCHEMBL4779375

[c]1ccc(NCCCc2ncc[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.47
TAAR1 Q96RJ0 3/20 0.46
TBXAS1 P24557 2/20 0.41
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
PTH1R Q03431 1/20 0.38
NAMPT P43490 9/20 0.37
PBK Q96KB5 1/20 0.35

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
SCHEMBL4778364 0.91 TERT (0.58) TERTTAAR1TBXAS1KLK1KLK5
SCHEMBL4774136 0.82 TERT (0.47) TERTTAAR1TBXAS1KLK1KLK5
SCHEMBL6572107 0.82 TERT (0.47) TERTTAAR1TBXAS1KLK1KLK5
SCHEMBL4776175 0.81 TAAR1 (0.70) TERTTAAR1KLK1KLK5PTH1R
SCHEMBL5526585 0.79 TERT (0.47) TERTTAAR1TBXAS1KLK1KLK5
SCHEMBL5362554 0.78 TBXAS1 (0.45) TERTTAAR1TBXAS1NAMPT
SCHEMBL7497236 0.76 ALDH1A1 (0.41) TERTTBXAS1
SCHEMBL5191160 0.76 ALDH1A1 (0.48) TERTTAAR1
SCHEMBL27220846 0.75 TERT (0.56) TERTTAAR1TBXAS1NAMPTPBK
SCHEMBL9666999 0.74 TAAR1 (0.70) TERTTAAR1TBXAS1KLK1KLK5

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 4 patents. 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 claimed
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed