SCHEMBL7426540

SCHEMBL7426540

O=C(O)NCCc1ncc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.54
TBXAS1 P24557 2/20 0.54
NAMPT P43490 6/20 0.45
TAAR1 Q96RJ0 2/20 0.44
FPR2 P25090 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FDPS P14324 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HTT P42858 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
SCHEMBL9081976 0.84 TERT (0.53) TERTTBXAS1NAMPTFPR2SMN1; SMN2
SCHEMBL6451096 0.81 FPR2 (0.55) TERTTBXAS1TAAR1FPR2GAA
SCHEMBL17470979 0.81 SMN1; SMN2 (0.52) TERTTBXAS1NAMPTTAAR1FPR2
Treamid SCHEMBL17483104 0.81 TBXAS1 (0.54) TERTTBXAS1NAMPTFPR2GAA
SCHEMBL17383408 0.81 GAA (0.58) NAMPTGAASMN1; SMN2KDM4EHTT
SCHEMBL13034815 0.80 TERT (0.49) TERTTBXAS1NAMPTFPR2
SCHEMBL7198930 0.80 TERT (0.49) TERTTBXAS1NAMPTFPR2GAA
SCHEMBL434372 0.80 TERT (0.49) TERTTBXAS1NAMPTTAAR1FPR2
SCHEMBL16133628 0.80 TERT (0.49) TERTTBXAS1NAMPTFPR2FDPS
SCHEMBL18381303 0.80 TBXAS1 (0.64) TERTTBXAS1NAMPTGAASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223933-A2 5-MEMBERED HETEROCYCLE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-24 EP claimed
WO-2001026656-A2 5-MEMBERED HETEROCYCLE DERIVATIVES AND USE THEREOF AS MONOAMINE OXIDASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-04-19 WO claimed