SCHEMBL2606484

SCHEMBL2606484

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
GNAI3 P08754 6/20 0.37
GNAO1 P09471 6/20 0.37
GNAI1 P63096 6/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD11B1 P28845 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34

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
SCHEMBL2666140 0.84 GNAI3 (0.50) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL2606369 0.81 GNAI3 (0.42) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL2606486 0.80 HSD11B1 (0.54) ALDH1A1HSD11B1MEN1KMT2AATM
SCHEMBL2606485 0.80 ALDH1A1 (0.41) ALDH1A1HSD11B1MEN1KMT2AATM
SCHEMBL9072449 0.78 EPHX2 (0.51) ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL2606383 0.78 ALDH1A1 (0.42) NPC1ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL2606380 0.77 GNAI3 (0.36) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL2606469 0.76 L3MBTL1 (0.46) ALDH1A1HSD11B1MEN1KMT2AL3MBTL1
SCHEMBL10272978 0.75 MEN1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL2606378 0.75 EPHX2 (0.40) ALDH1A1MEN1KMT2A

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