SCHEMBL3929593

SCHEMBL3929593

Cc1ccc(N2CC[C@@H](NC(N)=O)C2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SUV39H2 Q9H5I1 2/20 0.43
EED O75530 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
NPY5R Q15761 1/20 0.41
CHRM2 P08172 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
ACKR3 P25106 1/20 0.41
MAPK1 P28482 1/20 0.40
BTK Q06187 1/20 0.40

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
SCHEMBL3929596 1.00 USP30 (0.45) USP30TMEM97SIGMAR1SUV39H2EED
SCHEMBL3931291 0.90 USP30 (0.49) USP30TMEM97SIGMAR1EEDMTNR1A
SCHEMBL3931285 0.90 USP30 (0.49) USP30TMEM97SIGMAR1EEDMTNR1A
SCHEMBL1350982 0.82 SUV39H2 (0.48) USP30SUV39H2
SCHEMBL1350984 0.82 SUV39H2 (0.48) USP30SUV39H2
SCHEMBL22400180 0.81 HRH4 (0.50)
SCHEMBL3938151 0.80 NOTUM (0.60) SUV39H2MTNR1AMTNR1BNPY5R
SCHEMBL3938146 0.80 NOTUM (0.60) SUV39H2MTNR1AMTNR1BNPY5R
SCHEMBL1351419 0.78 TRPV1 (0.55) MAPK1
SCHEMBL1351422 0.78 TRPV1 (0.55) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425277-B8 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2009-04-01 EP claimed
EP-1425277-A2 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN SmithKline Beecham P.L.C. (GB) 2004-06-09 EP claimed
WO-2003022809-A2 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN SMITHKLINE BEECHAM P.L.C. (GB) 2003-03-20 WO claimed