SCHEMBL4592835

SCHEMBL4592835

CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ccc(Cl)s1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 15/20 0.53
▸ ACKR3 P25106 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ F2 P00734 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
SCHEMBL3447783 1.00 F10 (0.53) F10ACKR3KDM4EPKMNAMPT
SCHEMBL3447616 0.90 ACKR3 (0.45) F10ACKR3KDM4EPKMNAMPT
SCHEMBL4592698 0.90 ACKR3 (0.45) F10ACKR3KDM4EPKMNAMPT
SCHEMBL3447111 0.89 ACKR3 (0.48) F10ACKR3KDM4EPKMNAMPT
SCHEMBL4591552 0.86 F10 (0.57) F10F2
SCHEMBL4592555 0.86 F10 (0.57) F10F2
SCHEMBL3448759 0.82 F10 (0.51) F10F2
SCHEMBL3449326 0.80 ACKR3 (0.65) F10ACKR3KDM4EPKMNAMPT
SCHEMBL3449327 0.80 ACKR3 (0.65) F10ACKR3KDM4EPKMNAMPT
SCHEMBL20615620 0.79 KDM4E (0.64) F10ACKR3KDM4EPKMNAMPT

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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