SCHEMBL2668607

SCHEMBL2668607

CC1CCC(N(CCOCc2c(F)cccc2F)C(N)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
EPHX1 P07099 1/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
NPC1 O15118 1/20 0.31
TSHR P16473 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
EPHX2 P34913 2/20 0.31
KCNH2 Q12809 1/20 0.31
MC4R P32245 1/20 0.31
MC5R P33032 1/20 0.31
MC3R P41968 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2668708 0.92 SLC6A2 (0.37) TRPV1KCNH2
SCHEMBL14899708 0.88 TRPV1 (0.35) RAB9AALDH1A1TRPV1KCNH2LMNA
SCHEMBL9071949 0.87 ALDH1A1 (0.41) ALDH1A1KCNH2LMNATRPM8
SCHEMBL2668590 0.87 ALDH1A1 (0.41) ALDH1A1KCNH2LMNATRPM8
SCHEMBL2668517 0.82 PYGL (0.41) ALDH1A1KDM4EEPHX2SMN1; SMN2LMNA
SCHEMBL13486496 0.81 HTR2A (0.39)
SCHEMBL12204361 0.79 TRPM8 (0.39) ALDH1A1KDM4EEPHX2MC4RMC5R
SCHEMBL9071933 0.79 MAOB (0.42) ALDH1A1KDM4E
SCHEMBL14899706 0.79 MAOB (0.42) ALDH1A1KDM4E
SCHEMBL9071903 0.78 KMT2A (0.42) RAB9AALDH1A1TSHRPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904467-B1 Urea glucokinase activators NOVO NORDISK AS (DK) 2013-05-01 EP disclosed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed