SCHEMBL2668708

SCHEMBL2668708

C[C@H]1CC[C@H](N(CCOCc2c(F)cccc2C(F)(F)F)C(N)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
CYP3A4 P08684 2/20 0.34
CD38 P28907 1/20 0.34
KCNH2 Q12809 1/20 0.34
FFAR1 O14842 1/20 0.33
PTGER1 P34995 1/20 0.33
P2RX7 Q99572 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
FABP4 P15090 1/20 0.32
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 0.32
GNRHR P30968 1/20 0.32
JAK1 P23458 1/20 0.32
DCUN1D1 Q96GG9 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
SCHEMBL2668607 0.92 RAB9A (0.34) KCNH2TRPV1
SCHEMBL9071933 0.84 MAOB (0.42) SLC6A2SLC6A4
SCHEMBL14899706 0.84 MAOB (0.42) SLC6A2SLC6A4
SCHEMBL14899708 0.82 TRPV1 (0.35) KCNH2P2RX7TRPV1
SCHEMBL2668590 0.82 ALDH1A1 (0.41) KCNH2
SCHEMBL9071949 0.82 ALDH1A1 (0.41) KCNH2
SCHEMBL2668517 0.77 PYGL (0.41)
SCHEMBL13486496 0.76 HTR2A (0.39)
SCHEMBL1241468 0.76 CDK2 (0.36) P2RX7DCUN1D1
SCHEMBL14899711 0.74 HDAC3 (0.43)

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
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed