SCHEMBL5516664

SCHEMBL5516664

CC(C)C(C)(C)C(=O)N1CCC(C(N)=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CHRM1 P11229 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL5510969 0.84 LMNA (0.53) GAAHRH3ALDH1A1POLB
SCHEMBL31403181 0.84 GAA (0.51) GAASMN1; SMN2ALDH1A1CHRM1TDP1
SCHEMBL5520234 0.82 KMT2A (0.42) GAASMN1; SMN2HRH3POLB
SCHEMBL11922661 0.82 GAA (0.53) GAASMN1; SMN2ALDH1A1CHRM1TDP1
SCHEMBL5515906 0.81 ALDH1A1 (0.50) GAAALDH1A1KDM4E
SCHEMBL2745873 0.80 GAA (0.51) GAASMN1; SMN2ALDH1A1CHRM1TDP1
SCHEMBL5514914 0.80 HRH3 (0.40) HRH3ALDH1A1CHRM1
SCHEMBL5516041 0.80 SMN1; SMN2 (0.43) GAASMN1; SMN2HRH3ALDH1A1POLB
SCHEMBL16708787 0.79 HRH3 (0.39) SMN1; SMN2HRH3ALDH1A1TDP1POLB
SCHEMBL5513382 0.79 HPGD (0.61) SMN1; SMN2HRH3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed