SCHEMBL2606468

SCHEMBL2606468

CC1CCCCC1N(C(N)=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 7/20 0.48
S1PR1 P21453 4/20 0.48
EPHX1 P07099 2/20 0.42
ALOX5 P09917 3/20 0.35
PHGDH O43175 1/20 0.34
TSHR P16473 1/20 0.34
HSD11B1 P28845 1/20 0.34
GAA P10253 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
ADAM17 P78536 1/20 0.33
KMT2A Q03164 1/20 0.33
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32

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
SCHEMBL19458771 0.80 ALOX5 (0.45) S1PR3S1PR1EPHX1ALOX5PHGDH
SCHEMBL2754 0.80 ALOX5 (0.45) S1PR3S1PR1EPHX1ALOX5PHGDH
SCHEMBL11234464 0.80 ALOX5 (0.45) S1PR3S1PR1EPHX1ALOX5PHGDH
SCHEMBL2606404 0.80 ALOX5 (0.45) S1PR3S1PR1EPHX1ALOX5PHGDH
Urea SCHEMBL2807369 0.78 ALOX5 (0.43) S1PR3S1PR1EPHX1ALOX5PHGDH
Hydrochloric Acid SCHEMBL13518199 0.78 ALOX5 (0.43) S1PR3S1PR1EPHX1ALOX5PHGDH
SCHEMBL2170733 0.77 ALOX5 (0.43) S1PR3S1PR1EPHX1ALOX5PHGDH
SCHEMBL2666165 0.77 EPHX1 (0.41) S1PR3S1PR1EPHX1ALOX5PHGDH
SCHEMBL2606405 0.77 EPHX1 (0.41) S1PR3S1PR1EPHX1ALOX5PHGDH
SCHEMBL2606448 0.75 TSHR (0.39) EPHX1ALOX5TSHRGAATRPM8

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