SCHEMBL4592552

SCHEMBL4592552

O=C(NCC1CCN(C(=O)O)C1)c1ccc(Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.52
F2 P00734 3/20 0.49
ACKR3 P25106 2/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL4592548 1.00 F10 (0.52) F10F2ACKR3MAPK1
SCHEMBL4592841 0.86 GAA (0.49) F10ACKR3
SCHEMBL3449326 0.83 ACKR3 (0.65) F10F2ACKR3
SCHEMBL3449327 0.83 ACKR3 (0.65) F10F2ACKR3
SCHEMBL20618506 0.81 HDAC3 (0.58) F10F2MAPK1
SCHEMBL13110279 0.80 DRD2 (0.52) F10F2ACKR3MAPK1
SCHEMBL20615651 0.80 KDM4E (0.49) F10F2ACKR3MAPK1
SCHEMBL4592190 0.79 PRSS12 (0.51) F10
SCHEMBL4592193 0.79 PRSS12 (0.51) F10
SCHEMBL4592240 0.79 CHRNA7 (0.51) F10

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-1877404-A2 NOVEL CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-01-16 EP disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 WO disclosed