SCHEMBL5262297

SCHEMBL5262297

CCOC(=O)OC1CCN(c2nccc(Oc3ccc(CCC(C)=O)cc3)c2[N+](=O)[O-])CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.60
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACACB O00763 2/20 0.36
CTSB P07858 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL387746 0.89 GPR119 (0.77) GPR119ALDH1A1MAPTTDP1CTSB
SCHEMBL5263313 0.87 GPR119 (0.79) GPR119ALDH1A1MAPTLMNAHPGD
SCHEMBL5266036 0.86 GPR119 (0.53) GPR119ALDH1A1MAPTLMNAHPGD
SCHEMBL5259360 0.85 GPR119 (0.60) GPR119ALDH1A1MAPTLMNAHPGD
SCHEMBL1673955 0.85 GPR119 (0.57) GPR119ALDH1A1MAPTLMNAHPGD
SCHEMBL5263490 0.85 GPR119 (0.45) GPR119ALDH1A1MAPTCTSBMEN1
SCHEMBL5262728 0.83 GPR119 (0.61) GPR119ALDH1A1MAPTACACBCTSB
SCHEMBL5267022 0.83 GPR119 (0.47) GPR119ALDH1A1MAPTMEN1KMT2A
SCHEMBL6041145 0.82 GPR119 (0.49) GPR119
SCHEMBL4705303 0.81 GPR119 (0.53) GPR119ALDH1A1MAPTLMNAHPGD

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-1599468-B1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA ARENA PHARM INC (US) 2007-10-03 EP claimed