SCHEMBL7015250

SCHEMBL7015250

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.55
▸ LMNA P02545 3/20 0.55
▸ HTT P42858 3/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.44
▸ ALOX15 P16050 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPKAPK2 P49137 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL7014986 0.85 LMNA (0.52) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL11430603 0.84 TSHR (0.60) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL7018531 0.84 SMN1; SMN2 (0.50) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL7016543 0.83 SMN1; SMN2 (0.56) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL7014547 0.83 SMN1; SMN2 (0.49) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL7012035 0.82 SMN1; SMN2 (0.48) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL7015029 0.81 SMN1; SMN2 (0.47) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL7021855 0.81 SMN1; SMN2 (0.47) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL7015364 0.77 TRPV1 (0.43) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL7016574 0.77 ALDH1A1 (0.53) TSHRLMNAHTTMAPK1SMN1; SMN2

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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