SCHEMBL6629804

SCHEMBL6629804

Cc1cccc(N2CCC(NC(N)=O)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.57
NOTUM Q6P988 1/20 0.56
RPS6KB1 P23443 1/20 0.52
GPR119 Q8TDV5 1/20 0.51
FFAR4 Q5NUL3 1/20 0.48
ADRB1 P08588 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
GFER P55789 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3938146 0.92 NOTUM (0.60) NPY5RNOTUMRPS6KB1GPR119FFAR4
SCHEMBL3938151 0.92 NOTUM (0.60) NPY5RNOTUMRPS6KB1GPR119FFAR4
SCHEMBL17846438 0.82 EPHX2 (0.58) NPY5RNOTUMGPR119DRD2DRD3
SCHEMBL31381256 0.81 NOTUM (0.68) NOTUMRPS6KB1GPR119FFAR4ADRB1
SCHEMBL19711007 0.80 NOTUM (0.61) NPY5RNOTUMGPR119GFER
SCHEMBL2558104 0.78 NOTUM (0.56) NPY5RNOTUMRPS6KB1GPR119FFAR4
SCHEMBL316060 0.78 CA12 (0.57) NPY5RNOTUMGPR119DRD2DRD3
SCHEMBL5800964 0.77 NOTUM (0.83) NOTUMGPR119FFAR4ADRB1RAB9A
SCHEMBL13722253 0.76 NOTUM (0.64) NPY5RNOTUMGPR119FFAR4ADRB1
SCHEMBL23731860 0.76 NOTUM (0.59) NPY5RNOTUMGPR119FFAR4ADRB1

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-1417202-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-12 EP disclosed
WO-2002079186-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 WO disclosed