SCHEMBL5515093

SCHEMBL5515093

CCCCn1c(C)c(C)cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
THRB P10828 1/20 0.55
HPGD P15428 1/20 0.55
HCRTR1 O43613 1/20 0.54
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
CCKBR P32239 2/20 0.51
ITGB2 P05107 1/20 0.49
ICAM1 P05362 1/20 0.49
ITGAL P20701 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
KCNA5 P22460 1/20 0.49
TACR1 P25103 2/20 0.48
NPBWR1 P48145 1/20 0.48

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
SCHEMBL5524508 0.92 ITGB2 (0.58) MAPTALDH1A1HPGDCNR1CNR2
SCHEMBL5519560 0.83 CNR2 (0.65) ALDH1A1CNR1CNR2POLBGAA
SCHEMBL5524990 0.79 CNR2 (0.55) CNR1CNR2
SCHEMBL5515152 0.79 CNR2 (0.54) CNR1CNR2
SCHEMBL5519466 0.79 CNR2 (0.53) CNR1CNR2TSHR
SCHEMBL2746626 0.79 CNR2 (0.53) CNR1CNR2TSHR
SCHEMBL22647176 0.78 KMT2A (0.60) KMT2AMEN1MAPTALDH1A1THRB
SCHEMBL5519534 0.77 CNR2 (0.53) CNR1CNR2
SCHEMBL2746724 0.77 CNR2 (0.53) CNR1CNR2
SCHEMBL21001594 0.76 KMT2A (0.81) KMT2AMEN1MAPTTHRBHCRTR1

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 4 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-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
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP disclosed