SCHEMBL19300952

SCHEMBL19300952

CCN(CCO)C(=O)CC(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TRPV1 Q8NER1 8/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ LTB4R Q15722 1/20 0.43
▸ LTB4R2 Q9NPC1 1/20 0.43
▸ CES2 O00748 1/20 0.40
▸ SOS1 Q07889 1/20 0.40
▸ PNMT P11086 1/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL19301092 0.87 L3MBTL1 (0.45) L3MBTL1TRPV1KCNH2CES2PNMT
SCHEMBL23522701 0.83 L3MBTL1 (0.44) L3MBTL1TRPV1KCNH2TACR1KMT2A
SCHEMBL19283805 0.82 L3MBTL1 (0.45) L3MBTL1TRPV1KCNH2CES2PNMT
SCHEMBL19301144 0.80 FAAH (0.41) L3MBTL1TRPV1KCNH2KMT2AMEN1
SCHEMBL26830389 0.76 CES2 (0.50) L3MBTL1CES2SOS1PNMTKMT2A
SCHEMBL11336248 0.76 ACP3 (0.50) L3MBTL1CES2SOS1PNMTKMT2A
SCHEMBL6702950 0.76 MAPT (0.46) CES2SOS1PNMTKMT2AAURKA
SCHEMBL6700680 0.76 PNMT (0.53) L3MBTL1CES2PNMTKMT2AMEN1
SCHEMBL22630847 0.75 AURKA (0.59) CES2SOS1PNMTAURKA
SCHEMBL12895165 0.75 AURKA (0.59) CES2SOS1PNMTAURKA

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
WO-2017144183-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2017-08-31 — — WO disclosed
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