SCHEMBL27841981

SCHEMBL27841981

CC(=O)OC(C)(C)CNC(=O)Cc1ccc(F)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ KCNQ2 O43526 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34

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
SCHEMBL27842003 0.82 EPHX2 (0.40) LMNASMN1; SMN2
SCHEMBL27822931 0.81 LMNA (0.50) ALDH1A1GAALMNASMN1; SMN2
SCHEMBL27841982 0.81 GPR119 (0.38) —
SCHEMBL1578865 0.80 ALDH1A1 (0.42) ALDH1A1GAAGFERLMNASMN1; SMN2
SCHEMBL27841972 0.72 SMN1; SMN2 (0.48) ALDH1A1GAASMN1; SMN2
SCHEMBL27822933 0.72 ALDH1A1 (0.43) ALDH1A1GAALMNASMN1; SMN2
SCHEMBL15270391 0.72 ALDH1A1 (0.44) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL5734658 0.71 ALDH1A1 (0.69) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL29726397 0.70 GRM2 (0.49) GAA
SCHEMBL31096887 0.70 GRM2 (0.49) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102159535-A Potassium ion channel modulators and uses thereof UNIV RAMOT 2011-08-17 — — CN disclosed
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