SCHEMBL4592240

SCHEMBL4592240

O=C(NC[C@@H]1CCN(C(=O)O)C1)c1cc2cc(Cl)ccc2s1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.51
HTR3A P46098 2/20 0.51
PRSS12 P56730 2/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
KMT2A Q03164 1/20 0.42
F10 P00742 2/20 0.42
NAMPT P43490 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
CCR1 P32246 1/20 0.40
PPARA Q07869 1/20 0.39

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
SCHEMBL4592193 0.92 PRSS12 (0.51) CHRNA7HTR3APRSS12SLC6A2SLC6A4
SCHEMBL4592190 0.92 PRSS12 (0.51) CHRNA7HTR3APRSS12SLC6A2SLC6A4
SCHEMBL3449291 0.86 ACKR3 (0.54) CHRNA7HTR3AKMT2AF10NAMPT
SCHEMBL3449294 0.86 ACKR3 (0.54) CHRNA7HTR3AKMT2AF10NAMPT
SCHEMBL4592249 0.86 ACKR3 (0.54) CHRNA7HTR3AKMT2AF10NAMPT
SCHEMBL13126312 0.85 CHRNA7 (0.46) CHRNA7HTR3APRSS12KMT2AF10
SCHEMBL4592552 0.79 F10 (0.52) F10
SCHEMBL4592548 0.79 F10 (0.52) F10
SCHEMBL4592410 0.78 NPC1 (0.49) CHRNA7HTR3ASLC6A2SLC6A4KMT2A
SCHEMBL3447771 0.78 ACKR3 (0.54) CHRNA7PRSS12KMT2AF10NAMPT

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