SCHEMBL5262369

SCHEMBL5262369

CCOC(=O)OC1CCN(c2ncnc(Oc3ccc(Br)cc3F)c2[N+](=O)[O-])CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.60
MAPT P10636 3/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL5264179 0.93 GPR119 (0.54) GPR119MAPTSMN1; SMN2KDM4E
SCHEMBL5264849 0.90 GPR119 (0.52) GPR119MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1674011 0.89 GPR119 (0.77) GPR119MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL5263835 0.88 GPR119 (0.78) GPR119MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL5264529 0.85 GPR119 (0.66) GPR119MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1673676 0.84 GPR119 (0.55) GPR119MAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL5262427 0.82 GPR119 (0.52) GPR119MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL5261245 0.82 GPR119 (0.54) GPR119MAPTALDH1A1
SCHEMBL1673604 0.82 GPR119 (0.69) GPR119MAPTMAPK1KDM4EALDH1A1
SCHEMBL5263846 0.81 GPR119 (0.61) GPR119MAPTSMN1; SMN2KDM4EALDH1A1

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