SCHEMBL9788146

SCHEMBL9788146

CCN(CC)C(=O)n1cnc(Sc2c(C)cccc2OC(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.39
HCRTR2 O43614 6/20 0.39
CRHR1 P34998 1/20 0.35
PDE4D Q08499 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MGLL Q99685 1/20 0.31
GPR139 Q6DWJ6 1/20 0.31
OXTR P30559 1/20 0.31

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
SCHEMBL9378936 0.86 LMNA (0.36) TSHRL3MBTL1BCHESMN1; SMN2MGLL
SCHEMBL5371656 0.76 SCN9A (0.38) HCRTR1HCRTR2MEN1KMT2AL3MBTL1
SCHEMBL5378809 0.74 PTPN1 (0.34) MEN1KMT2ATSHRL3MBTL1SMN1; SMN2
SCHEMBL7661186 0.72 POLB (0.35) MEN1KMT2AL3MBTL1BCHESMN1; SMN2
SCHEMBL8782262 0.72 RECQL (0.36) RAB9AMGLL
SCHEMBL6643572 0.71 SCN9A (0.36) HCRTR1HCRTR2MEN1KMT2AL3MBTL1
SCHEMBL7660067 0.70 LMNA (0.37) MEN1KMT2AL3MBTL1BCHESMN1; SMN2
SCHEMBL9381168 0.70 TSPO (0.32) KMT2A
SCHEMBL9359912 0.70 LMNA (0.39) TSHRSMN1; SMN2
SCHEMBL9258315 0.69 KDM4E (0.35) HCRTR1HCRTR2MEN1KMT2AL3MBTL1

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
JP-3279368-A None JP disclosed
JP-H03279368-A CARBAMOYLTRIAZOLE DERIVATIVE AND HERBICIDE CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT MITSUBISHI PETROCHEM CO LTD 1991-12-10 JP disclosed