SCHEMBL5264873

SCHEMBL5264873

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

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.71
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACACB O00763 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL5261377 0.92 GPR119 (0.73) GPR119KMT2AMAPTCYP2C9CYP2C19
SCHEMBL5263947 0.91 GPR119 (0.80) GPR119KMT2AMAPTALDH1A1
SCHEMBL5265164 0.91 GPR119 (0.72) GPR119KMT2AMAPTCYP2C9CYP2C19
SCHEMBL5264597 0.89 GPR119 (0.72) GPR119KMT2ATRPV1ACACBALDH1A1
SCHEMBL1673689 0.88 GPR119 (0.83) GPR119KMT2AMAPTTDP1KDM4E
SCHEMBL1673944 0.87 GPR119 (0.76) GPR119KMT2ATRPV1MAPTALDH1A1
SCHEMBL1673929 0.86 GPR119 (0.80) GPR119KMT2AMAPTTDP1CYP2C9
SCHEMBL1673748 0.86 GPR119 (0.74) GPR119KMT2ATRPV1MAPTALDH1A1
SCHEMBL1673922 0.86 GPR119 (0.74) GPR119KMT2AMAPT
SCHEMBL1673657 0.86 GPR119 (0.79) GPR119KMT2AMAPTTDP1CYP2C9

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