SCHEMBL4592193

SCHEMBL4592193

O=C(NCC1CCN(C(=O)O)C1)c1cc2ccc(Cl)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 4/20 0.51
CHRNA7 P36544 6/20 0.51
F10 P00742 5/20 0.46
TACR2 P21452 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.42
HTR3A P46098 2/20 0.42

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
SCHEMBL4592190 1.00 PRSS12 (0.51) PRSS12CHRNA7F10TACR2SLC6A2
SCHEMBL4592240 0.92 CHRNA7 (0.51) PRSS12CHRNA7F10SLC6A2SLC6A4
SCHEMBL3447766 0.86 ACKR3 (0.54) PRSS12CHRNA7F10KMT2ANAMPT
SCHEMBL3447771 0.86 ACKR3 (0.54) PRSS12CHRNA7F10KMT2ANAMPT
SCHEMBL4592552 0.79 F10 (0.52) F10
SCHEMBL4592548 0.79 F10 (0.52) F10
SCHEMBL4592249 0.78 ACKR3 (0.54) CHRNA7F10KMT2ANAMPTHTR3A
SCHEMBL3449291 0.78 ACKR3 (0.54) CHRNA7F10KMT2ANAMPTHTR3A
SCHEMBL3449294 0.78 ACKR3 (0.54) CHRNA7F10KMT2ANAMPTHTR3A
SCHEMBL8251721 0.78 CHRNA7 (0.47) CHRNA7F10

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