SCHEMBL4591702

SCHEMBL4591702

O=C(NCC1CN(C(=O)O)CC1=O)c1ccc(Cl)s1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.53
▸ F2 P00734 4/20 0.46
▸ ABCB11 O95342 1/20 0.44
▸ ST14 Q9Y5Y6 1/20 0.44

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
SCHEMBL4591700 1.00 F10 (0.53) F10F2ABCB11ST14
SCHEMBL4591546 1.00 F10 (0.53) F10F2ABCB11ST14
SCHEMBL3449274 0.84 ACKR3 (0.47) F10
SCHEMBL4592617 0.84 ACKR3 (0.47) F10
SCHEMBL3449273 0.84 ACKR3 (0.47) F10
SCHEMBL4592552 0.77 F10 (0.52) F10F2
SCHEMBL4592458 0.77 F10 (0.51) F10F2
SCHEMBL4592531 0.77 F10 (0.51) F10F2
SCHEMBL4592548 0.77 F10 (0.52) F10F2
SCHEMBL4593159 0.74 F10 (0.48) F10F2

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
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