SCHEMBL27652247

SCHEMBL27652247

O=C(O)C1CCN(c2ncnc(OCCc3cccc(C(F)(F)F)c3)c2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.49
GPR119 Q8TDV5 8/20 0.47
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NOTUM Q6P988 1/20 0.43
S1PR1 P21453 1/20 0.42
GRK5 P34947 1/20 0.42
CDK8 P49336 1/20 0.42
S1PR5 Q9H228 1/20 0.42
IDH2 P48735 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL1673935 0.90 GPR119 (0.61) GPR119
SCHEMBL27652088 0.82 SERPINE1 (0.50) SERPINE1GPR119POLBCYP2C9CYP2C19
SCHEMBL1673998 0.81 GPR119 (0.62) GPR119
SCHEMBL27652250 0.79 GPR119 (0.60) SERPINE1GPR119POLBCYP2C9CYP2C19
SCHEMBL12733479 0.78 GPR119 (0.62) GPR119POLB
SCHEMBL27652113 0.78 MAPT (0.45) GPR119
SCHEMBL27652222 0.76 GPR119 (0.53) SERPINE1GPR119POLBCYP2C9CYP2C19
SCHEMBL1673692 0.75 GPR119 (0.70) GPR119
SCHEMBL1673671 0.74 GPR119 (0.61) GPR119
SCHEMBL27631857 0.74 GPR119 (0.62) GPR119NOTUM

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
CN-1835943-A 1,2, 3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prevention and treatment of diseases related thereto, such as diabetes and hyperglycemia ARENA PHARM INC (US) 2006-09-20 CN disclosed