SCHEMBL3931285

SCHEMBL3931285

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.49
CHRM2 P08172 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
NOTUM Q6P988 3/20 0.43
NPY5R Q15761 1/20 0.43
EED O75530 2/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
ACKR3 P25106 1/20 0.42
MAPK1 P28482 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GRM4 Q14833 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
SCHEMBL3931291 1.00 USP30 (0.49) USP30CHRM2MTNR1AMTNR1BNOTUM
SCHEMBL3929596 0.90 USP30 (0.45) USP30CHRM2MTNR1AMTNR1BNPY5R
SCHEMBL3929593 0.90 USP30 (0.45) USP30CHRM2MTNR1AMTNR1BNPY5R
SCHEMBL1350982 0.85 SUV39H2 (0.48) USP30
SCHEMBL1350984 0.85 SUV39H2 (0.48) USP30
SCHEMBL22400180 0.83 HRH4 (0.50)
SCHEMBL25273486 0.83 USP30 (0.51) USP30CHRM2NOTUMPDE4BPDE4D
SCHEMBL25273485 0.83 USP30 (0.51) USP30CHRM2NOTUMPDE4BPDE4D
SCHEMBL16422984 0.82 NOTUM (0.61) USP30NOTUMNPY5RACKR3MAPK1
SCHEMBL16422685 0.82 NOTUM (0.61) USP30NOTUMNPY5RACKR3MAPK1

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 disclosed
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 disclosed
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 disclosed