SCHEMBL5264597

SCHEMBL5264597

CCNC(=O)OC1CCN(c2ncnc(Oc3cc(C(F)(F)F)nn3C)c2[N+](=O)[O-])CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.72
ACACB O00763 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CD O00329 1/20 0.33
AKT1 P31749 1/20 0.32
RPS6KA1 Q15418 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1674038 0.89 GPR119 (0.79) GPR119TRPV1KMT2A
SCHEMBL5264873 0.89 GPR119 (0.71) GPR119ACACBTRPV1KMT2AALDH1A1
SCHEMBL5261377 0.89 GPR119 (0.73) GPR119KMT2APIK3CDALDH1A1
SCHEMBL5263947 0.88 GPR119 (0.80) GPR119KMT2APIK3CDALDH1A1
SCHEMBL5265164 0.88 GPR119 (0.72) GPR119KMT2APIK3CDAKT1ALDH1A1
SCHEMBL1673657 0.85 GPR119 (0.79) GPR119KMT2AALDH1A1
SCHEMBL1673944 0.84 GPR119 (0.76) GPR119TRPV1KMT2AAKT1RPS6KA1
SCHEMBL1673689 0.84 GPR119 (0.83) GPR119KMT2A
SCHEMBL1673742 0.84 GPR119 (0.75) GPR119KMT2AAKT1RPS6KA1
SCHEMBL1673929 0.84 GPR119 (0.80) GPR119KMT2AALDH1A1

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