SCHEMBL6142899

SCHEMBL6142899

CCCC(F)OC(=O)NC1CN(c2nc(Cl)ccc2C(F)(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.38
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
P2RX7 Q99572 1/20 0.34
UGT8 Q16880 1/20 0.34
NSD2 O96028 1/20 0.34
CHRM4 P08173 1/20 0.34
LCAT P04180 1/20 0.34
CNR2 P34972 1/20 0.34
GRM4 Q14833 1/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
SCD O00767 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
SCHEMBL4476430 0.81 PDE10A (0.46) NSD2
SCHEMBL28930757 0.73 PDE10A (0.49)
SCHEMBL28930758 0.73 PDE10A (0.49)
SCHEMBL6923155 0.66 ROCK2 (0.42) P2RX7
SCHEMBL4485720 0.65 PDE10A (0.49)
SCHEMBL28930755 0.65 SCD (0.41) GRM2UGT8LCATRBP4TTR
SCHEMBL584883 0.61 KCNH2 (0.39)
SCHEMBL6142677 0.61 ADRB2 (0.50) CCNCCDK8LCATGRM4RBP4
SCHEMBL27627609 0.60 ABHD6 (0.34)
SCHEMBL15401351 0.59 BTK (0.55)

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-1601665-A2 UREA DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-07 EP disclosed
WO-2004078744-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 WO disclosed