SCHEMBL470657

SCHEMBL470657

C[C@H](Oc1cnc(N2CC[C@@H](N)C2)nc1)C1CCN(C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.43
CAMK1D Q8IU85 9/20 0.38
PIP5K1C O60331 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RIPK4 P57078 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAP2K5 Q13163 1/20 0.38
CAMK1 Q14012 1/20 0.38
MAP3K11 Q16584 1/20 0.38
PNCK Q6P2M8 1/20 0.38
CAMK1G Q96NX5 1/20 0.38
LRRK2 Q5S007 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL470588 0.89 GPR119 (0.46) ACACB
SCHEMBL470687 0.81 GPR119 (0.39) ACACBCAMK1DPIP5K1CCYP2C9CYP2C19
SCHEMBL470661 0.76 GPR119 (0.47) ACACBCAMK1DPIP5K1CCYP2C9CYP2C19
SCHEMBL470585 0.75 GPR119 (0.35) ACACBCAMK1DPIP5K1CCYP2C9CYP2C19
SCHEMBL13186861 0.75 GPR119 (0.48) ACACB
SCHEMBL470599 0.70 GPR119 (0.43) ACACBCYP2C9
SCHEMBL12193392 0.69 ACACB (0.47) ACACB
SCHEMBL470849 0.69 GPR119 (0.41) ACACBKCNH2HCRTR1HCRTR2
SCHEMBL2413103 0.69 POLB (0.54) CAMK1DPIP5K1CCYP2C9CYP2C19RIPK4
SCHEMBL26684586 0.67 HRH3 (0.44) ACACBCAMK1DPIP5K1CCYP2C9CYP2C19

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed