SCHEMBL2606485

SCHEMBL2606485

CC(C)(C)CC(=O)N1CCC(N(C(N)=O)C2CCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 2/20 0.40
DPP4 P27487 1/20 0.39
FAAH O00519 1/20 0.36
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
EPHX2 P34913 2/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 2/20 0.34
ATM Q13315 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 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
SCHEMBL2606378 0.86 EPHX2 (0.40) ALDH1A1DPP4EPHX2KMT2ASMN1; SMN2
SCHEMBL9072449 0.84 EPHX2 (0.51) ALDH1A1CYP3A4EPHX2KMT2ASMN1; SMN2
SCHEMBL2606369 0.81 GNAI3 (0.42) ALDH1A1EPHX2KMT2ASMN1; SMN2MAPT
SCHEMBL2606484 0.80 NPC1 (0.40) ALDH1A1KMT2AHSD11B1MEN1ATM
SCHEMBL2606486 0.80 HSD11B1 (0.54) ALDH1A1FAAHTPSAB1TPSD1TPSG1
SCHEMBL2606449 0.80 KMT2A (0.43) ALDH1A1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL10272978 0.80 MEN1 (0.43) ALDH1A1EPHX2KMT2AMEN1ATM
SCHEMBL2606418 0.79 TPSAB1 (0.45) ALDH1A1DPP4FAAHTPSAB1TPSD1
SCHEMBL2666140 0.79 GNAI3 (0.50) ALDH1A1KMT2AMAPTHSD11B1MEN1
SCHEMBL2606343 0.79 HTT (0.48) ALDH1A1DPP4EPHX2MAPTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516240-A Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK AS 2012-06-27 CN disclosed
EP-2444397-A1 Heteroaryl-ureas and their use as glucokinase activators Novo Nordisk A/S (DK) 2012-04-25 EP disclosed
CN-1910166-B Heteroaryl ureas and their use as glucokinase activators NOVO NORDISK AS 2012-01-04 CN disclosed