SCHEMBL5521576

SCHEMBL5521576

COCCN(C(C)=O)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MLNR O43193 2/20 0.37
SIGMAR1 Q99720 2/20 0.33
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL28856183 0.82 SIGMAR1 (0.34) MEN1KMT2AMLNRSIGMAR1CHRM5
SCHEMBL28199273 0.79 SIGMAR1 (0.36) MLNRSIGMAR1CHRM5CHRM3
SCHEMBL27618554 0.77 SIGMAR1 (0.46) SIGMAR1
SCHEMBL28199286 0.77 POLB (0.41) MEN1KMT2ASIGMAR1
SCHEMBL6622116 0.72 KMT2A (0.48) MEN1KMT2ASIGMAR1
SCHEMBL391242 0.71 MEN1 (0.40) MEN1KMT2ASIGMAR1CHRM5CHRM3
SCHEMBL2009423 0.70 SIGMAR1 (0.61) MEN1KMT2AMLNRSIGMAR1CHRM5
Hydrochloric Acid SCHEMBL2010274 0.69 SIGMAR1 (0.60) MEN1KMT2AMLNRSIGMAR1CHRM5
SCHEMBL28199271 0.69 CA2 (0.38) KMT2ASIGMAR1CHRM5CHRM3
SCHEMBL296666 0.68 SLC6A4 (0.44) MEN1KMT2A

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-1861376-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F. Hoffmann-Roche AG (CH) 2007-12-05 EP disclosed
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed