SCHEMBL689074

SCHEMBL689074

CC(C)OC(=O)OC1=CN(C(=O)CCc2ccccc2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.47
LMNA P02545 6/20 0.46
TP53 P04637 2/20 0.43
JAK2 O60674 1/20 0.39
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
ALK Q9UM73 1/20 0.39
FAAH O00519 4/20 0.38
TRPV1 Q8NER1 2/20 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
SCHEMBL274855 0.85 NR1H4 (0.64) NR1H4LMNATP53
SCHEMBL274019 0.77 NR1H4 (0.65) NR1H4LMNATP53
SCHEMBL274128 0.76 NR1H4 (0.66) NR1H4
SCHEMBL273791 0.72 NR1H4 (0.63) NR1H4
SCHEMBL278965 0.68 NR1H4 (0.85) NR1H4
SCHEMBL5732372 0.68 NR1H4 (0.49) NR1H4LMNATRPV1
SCHEMBL688979 0.67 NR1H4 (0.47) NR1H4LMNATP53
SCHEMBL275154 0.67 NR1H4 (0.62) NR1H4LMNA
SCHEMBL275517 0.67 NR1H4 (0.71) NR1H4
SCHEMBL687797 0.67 NR1H4 (0.46) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP claimed