SCHEMBL8259236

SCHEMBL8259236

O=C(N[C@@H]1CCN(C(=O)CBr)C1)c1ccc(Cl)s1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.50
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
F2 P00734 2/20 0.41

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
SCHEMBL3305464 0.85 F10 (0.51) F10KMT2AMEN1GAAHTT
SCHEMBL3305467 0.85 F10 (0.51) F10KMT2AMEN1GAAHTT
SCHEMBL3448933 0.79 F10 (0.47) F10KMT2AMEN1GAARAB9A
SCHEMBL3449130 0.78 USP30 (0.55) F10HTTRAB9AMAPK1ALDH1A1
SCHEMBL3449128 0.78 USP30 (0.55) F10HTTRAB9AMAPK1ALDH1A1
SCHEMBL4658326 0.78 KMT2A (0.50) F10KMT2AMEN1GAAHTT
SCHEMBL3306199 0.77 F10 (0.45) F10KMT2AMEN1GAASMN1; SMN2
SCHEMBL8255908 0.76 F10 (0.59) F10F2
SCHEMBL6371116 0.75 ALDH1A1 (0.55) F10KMT2AMEN1GAAHTT
SCHEMBL3314697 0.73 F10 (0.61) F10KMT2ARAB9AMAPK1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 WO disclosed