SCHEMBL4722319

SCHEMBL4722319

CC(C)OC(=O)ON1CCC(Oc2cc(Nc3ccc(N4CCOCC4)nc3)ncn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.43
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 1/20 0.41
FLT3 P36888 3/20 0.40
CDK2 P24941 1/20 0.40
CDK6 Q00534 1/20 0.40
ERBB2 P04626 2/20 0.40
DGAT1 O75907 2/20 0.40
PIK3CA P42336 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ACACB O00763 2/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL387108 0.89 GPR119 (0.55) GPR119CYP1A2MAPTCYP2C19ERBB2
SCHEMBL4723183 0.85 GPR119 (0.46) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4723224 0.84 GPR119 (0.46) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4721011 0.83 FLT3 (0.49) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4723272 0.82 GPR119 (0.46) GPR119CYP1A2FLT3CDK2CDK6
SCHEMBL4723387 0.81 GPR119 (0.49) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4721899 0.81 GPR119 (0.46) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4722061 0.80 GPR119 (0.51) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4722464 0.80 GPR119 (0.60) GPR119
SCHEMBL4720958 0.79 GPR119 (0.46) GPR119FLT3CDK2CDK6ACACB

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-1756084-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2008-11-26 EP claimed