SCHEMBL7021855

SCHEMBL7021855

CC(C)COC(=O)Nc1c[c]cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ SLC13A3 Q8WWT9 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAOB P27338 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ CACNA1D Q01668 1/20 0.36
▸ CACNA1S Q13698 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36

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
SCHEMBL5115340 0.85 KDM4E (0.46) SMN1; SMN2SLC13A3LMNAALDH1A1HTT
SCHEMBL7014986 0.83 LMNA (0.52) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL7015250 0.81 TSHR (0.55) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL7018531 0.80 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL7011306 0.80 TRPV1 (0.45) SMN1; SMN2SLC13A3LMNAALDH1A1L3MBTL1
SCHEMBL7016497 0.79 SLC13A3 (0.42) SLC13A3LMNAMAPK1MAPT
SCHEMBL7014547 0.78 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL7016543 0.78 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL7016001 0.78 MGLL (0.52) SMN1; SMN2SLC13A3ALDH1A1TSHRMAOB
SCHEMBL686791 0.78 RXFP1 (0.48) SMN1; SMN2SLC13A3LMNAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 — — EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 — — US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 — — EP disclosed
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