SCHEMBL2606471

SCHEMBL2606471

C[C@H]1CC[C@H](N(C(N)=O)C2CCN(C(=O)C(F)(F)F)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 1/20 0.35
EPHX1 P07099 3/20 0.35
GPR119 Q8TDV5 2/20 0.34
EPHX2 P34913 2/20 0.34
PDK2 Q15119 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC9A1 P19634 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
KDM1A O60341 1/20 0.33
NPC1 O15118 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
SCHEMBL2606379 0.85 EPHX1 (0.37) ALDH1A1EPHX1EPHX2PDK2DPP4
SCHEMBL2606432 0.83 ALDH1A1 (0.40) ALDH1A1L3MBTL1MCHR1GPR119NPC1
SCHEMBL10273847 0.82 ALDH1A1 (0.40) ALDH1A1L3MBTL1MCHR1GPR119EPHX2
SCHEMBL2606450 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1EPHX1GPR119EPHX2
SCHEMBL2606417 0.79 HPGD (0.42) ALDH1A1L3MBTL1
SCHEMBL2606411 0.79 MEN1 (0.42) ALDH1A1L3MBTL1GPR119NPC1
SCHEMBL470951 0.79 ALDH1A1 (0.48) ALDH1A1EPHX1EPHX2DPP4DPP8
SCHEMBL2606479 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1MCHR1CYP3A4CYP2C9
SCHEMBL2606377 0.78 ALDH1A1 (0.44) ALDH1A1L3MBTL1EPHX1EPHX2CYP3A4
SCHEMBL2606394 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1

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-2444397-A1 Heteroaryl-ureas and their use as glucokinase activators Novo Nordisk A/S (DK) 2012-04-25 EP disclosed