SCHEMBL7785772

SCHEMBL7785772

O=c1[nH]nnn1CCc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.48
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
FLT1 P17948 2/20 0.37
KDR P35968 2/20 0.37
GRM2 Q14416 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PTGS2 P35354 1/20 0.36
TRPA1 O75762 2/20 0.36
PLK1 P53350 1/20 0.36
THRB P10828 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
SCHEMBL5906231 0.85 LMNA (0.44) ALDH1A1LMNAHTTGRM2THRB
SCHEMBL7786924 0.84 DAO (0.48) DAOGRM2TAAR1ADRA1DADRA1A
SCHEMBL11518915 0.83 MAPT (0.46) DAOHTT
SCHEMBL7783554 0.73 DAO (0.52) DAOGRM2TAAR1
SCHEMBL8603321 0.71
SCHEMBL5906391 0.70 PKM (0.46) ALDH1A1LMNAHTTGRM2THRB
SCHEMBL20599778 0.70 DAO (0.36) DAOALDH1A1LMNAHTT
SCHEMBL7783960 0.70 DAO (0.55) DAOHTTTAAR1
SCHEMBL15564933 0.70 DAO (0.54) DAOALDH1A1LMNAHTT
SCHEMBL16968211 0.70 DAO (0.54) DAOALDH1A1

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-1144392-A1 NOVEL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2001-10-17 EP disclosed
WO-2000040568-A1 NOVEL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-07-13 WO disclosed