SCHEMBL2646512

SCHEMBL2646512

NNC(=O)OC(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
CA2 P00918 1/20 0.31
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
THPO P40225 1/20 0.30

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
SCHEMBL27566866 0.75 CYP1A2 (0.30) CYP1A2TSHRNFKB1MAOAMAOB
SCHEMBL6222074 0.75 CHRM2 (0.31) CA2NFKB1
SCHEMBL21802925 0.75 ALDH1A1 (0.32)
SCHEMBL52 0.74 CA2 (0.35) CA2
SCHEMBL27623481 0.74 CA2 (0.35) CA2
SCHEMBL5477482 0.74
Urea SCHEMBL28253601 0.73 ALDH1A1 (0.38) CA2
Hydrochloric Acid SCHEMBL8958370 0.72 CA2 (0.33) CA2
SCHEMBL3945657 0.72 CA2 (0.33) CA2
Hydrogen Peroxide SCHEMBL2051538 0.72 CA2 (0.33) CA2

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-1140823-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2001-10-10 EP disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO disclosed