SCHEMBL5134779

SCHEMBL5134779

C1CNCCNCCCNCCNC1.C1CNCCNCCCNCCNC1.C1CNCCNCCCNCCNC1.O=C(O)CN1CCCNCCNCCCNCC1.O=C(O)CN1CCCNCCNCCCNCC1.O=C(O)CN1CCCNCCNCCCNCC1.O=C(O)CN1CCCNCCNCCCNCC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 10/20 0.55
MEN1 O00255 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
ADRA2C P18825 1/20 0.49
CCR2 P41597 1/20 0.49
CXCL12 P48061 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
SIGMAR1 Q99720 3/20 0.48
CHRM5 P08912 2/20 0.47
CHRM3 P20309 2/20 0.47
HSD17B10 Q99714 1/20 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
SCHEMBL934649 1.00 CXCR4 (0.55) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL29223244 0.98 CXCR4 (0.52) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL935078 0.96 SIGMAR1 (0.50) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL2916592 0.96 SIGMAR1 (0.50) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL24177173 0.94 SIGMAR1 (0.49) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL13805257 0.92 SIGMAR1 (0.48) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL28997961 0.92 CHRM5 (0.47) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL22398868 0.91 SIGMAR1 (0.46) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL8675042 0.90 CHRM5 (0.49) CXCR4MEN1CHRM2CHRM1ADRA2C
Pyrrolidine SCHEMBL4661508 0.90 CHRM5 (0.52) CXCR4MEN1CHRM2CHRM1ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080299137-A1 Fusion Proteins That Bind Effector Lymphocytes And Target Cells NOVO NORDISK A/S (DK) 2008-12-04 US disclosed