SCHEMBL21985604

SCHEMBL21985604

CCC(CC)C[C@H](C)OC(=O)[C@H](C)N

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ SLC1A1 P43005 1/20 0.31
▸ LAP3 P28838 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ SLC7A5 Q01650 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL11878704 0.83 MAPT (0.41) SLC1A3SLC1A2SLC1A1LAP3MAPT
SCHEMBL14887474 0.83 MAPT (0.41) SLC1A3SLC1A2SLC1A1LAP3MAPT
SCHEMBL14989441 0.83 MAPT (0.41) SLC1A3SLC1A2SLC1A1LAP3MAPT
SCHEMBL14887223 0.83 MAPT (0.41) SLC1A3SLC1A2SLC1A1LAP3MAPT
SCHEMBL14887353 0.83 MAPT (0.41) SLC1A3SLC1A2SLC1A1LAP3MAPT
SCHEMBL23656867 0.83 SLC7A5 (0.44) SLC1A3SLC1A2LAP3MAPTTSHR
SCHEMBL14989440 0.83 MAPT (0.41) SLC1A3SLC1A2SLC1A1LAP3MAPT
SCHEMBL15574890 0.83 MAPT (0.41) SLC1A3SLC1A2SLC1A1LAP3MAPT
SCHEMBL17662348 0.83 SLC7A5 (0.44) SLC1A3SLC1A2LAP3MAPTTSHR
SCHEMBL4634192 0.83 MAPT (0.41) SLC1A3SLC1A2SLC1A1LAP3MAPT

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
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 — — EP disclosed
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