SCHEMBL4779626

SCHEMBL4779626

Oc1ccc(NCCc2ncc[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.58
TAAR1 Q96RJ0 4/20 0.49
KLK1 P06870 1/20 0.47
KLK5 Q9Y337 1/20 0.47
FPR2 P25090 1/20 0.40
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
TBXAS1 P24557 2/20 0.40
PTH1R Q03431 4/20 0.38
NAMPT P43490 1/20 0.38
APP P05067 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4774136 0.91 TERT (0.47) TERTTAAR1KLK1KLK5FPR2
SCHEMBL9666999 0.83 TAAR1 (0.70) TERTTAAR1KLK1KLK5TBXAS1
SCHEMBL4776719 0.83 TAAR1 (0.70) TERTTAAR1KLK1KLK5FPR2
SCHEMBL4778364 0.81 TERT (0.58) TERTTAAR1KLK1KLK5FPR2
SCHEMBL11411805 0.76 ESR1 (0.52) TERTTAAR1TTBK1TTBK2TBXAS1
SCHEMBL6572107 0.75 TERT (0.47) TERTTAAR1KLK1KLK5FPR2
SCHEMBL8309447 0.73 TBXAS1 (0.49) TERTTAAR1TTBK1TTBK2TBXAS1
SCHEMBL6017533 0.73 TBXAS1 (0.53) TERTTAAR1TBXAS1KDM4EALDH1A1
SCHEMBL12807572 0.73 TERT (0.66) TERTTAAR1TBXAS1NAMPT
SCHEMBL4779375 0.72 TERT (0.47) 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