SCHEMBL7014547

SCHEMBL7014547

CCc1c[c]cc(NC(=O)OCC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TSHR P16473 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MAPKAPK2 P49137 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.36
▸ HPGD P15428 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
SCHEMBL7015029 0.89 SMN1; SMN2 (0.47) SMN1; SMN2TSHRLMNAHTTALOX15
SCHEMBL7015250 0.83 TSHR (0.55) SMN1; SMN2TSHRLMNAHTTALOX15
SCHEMBL7014986 0.83 LMNA (0.52) SMN1; SMN2TSHRLMNAHTTALOX15
SCHEMBL7012035 0.82 SMN1; SMN2 (0.48) SMN1; SMN2TSHRLMNAHTTALOX15
SCHEMBL7018531 0.82 SMN1; SMN2 (0.50) SMN1; SMN2TSHRLMNAHTTALOX15
SCHEMBL7016543 0.81 SMN1; SMN2 (0.56) SMN1; SMN2TSHRLMNAHTTALOX15
SCHEMBL7014110 0.80 MEN1 (0.43) SMN1; SMN2TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL7021855 0.78 SMN1; SMN2 (0.47) SMN1; SMN2TSHRLMNAHTTALOX15
SCHEMBL7014967 0.78 PTGIR (0.45) SMN1; SMN2TSHRALDH1A1KDM4EMAOB
SCHEMBL21268267 0.77 CYP17A1 (0.42) MAPKAPK2

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
Send feedback