SCHEMBL7783554

SCHEMBL7783554

O=c1[nH]nnn1CCc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.52
SLC6A3 Q01959 2/20 0.47
TAAR1 Q96RJ0 1/20 0.42
GRM2 Q14416 1/20 0.42
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CASR P41180 2/20 0.40

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
SCHEMBL7786919 0.83 DAO (0.52) DAOTAAR1
SCHEMBL7783960 0.82 DAO (0.55) DAOTAAR1DRD2
SCHEMBL11518915 0.82 MAPT (0.46) DAOHSD17B10
SCHEMBL15564255 0.73 DAO (0.57) DAOSLC6A3CASR
SCHEMBL16968227 0.73 DAO (0.57) DAOSLC6A3TAAR1
SCHEMBL7785772 0.73 DAO (0.48) DAOTAAR1GRM2
SCHEMBL5906391 0.69 PKM (0.46) GRM2
SCHEMBL5905968 0.68 IDO1 (0.49) DAOGRM2HSD17B10
SCHEMBL16297129 0.68 IDO1 (0.47)
SCHEMBL3371633 0.68 TAAR1 (0.74) DAOSLC6A3TAAR1DRD2SLC6A4

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