SCHEMBL18459294

SCHEMBL18459294

Cc1ccc(C[N+]2(C)CCN(c3ccc(I)cc3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.40
ALOX15 P16050 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
ADRB1 P08588 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
CHRNA3 P32297 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
APOBEC3A P31941 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 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
SCHEMBL16926328 0.92 CHRNA7 (0.46) CHRNA7ALOX15CHRNB2CHRNA4ADRB1
SCHEMBL18872637 0.82 CHRNA7 (0.43) CHRNA7ALOX15CHRNB2CHRNA4ADRB1
SCHEMBL15268156 0.77 ADRB1 (0.57) ALOX15ADRB1MAPK1HSD17B10NPC1
SCHEMBL15367682 0.76 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4POLBMEN1
SCHEMBL15496538 0.76 ALOX15 (0.48) CHRNA7ALOX15CHRNB2CHRNA4CYP3A4
SCHEMBL21254005 0.72 CHRNA7 (0.44) CHRNA7ALOX15CHRNB2CHRNA4ADRB1
SCHEMBL12682901 0.71 CHRNA7 (0.44) CHRNA7CHRNB2CHRNA4GAANPC1
SCHEMBL12682791 0.70 CHRNB2 (0.65) CHRNA7CHRNB2CHRNA4NPC1POLB
SCHEMBL13302422 0.70 ALDH1A1 (0.44) CHRNA7CHRNB2CHRNA4CYP3A4MAPK1
SCHEMBL18459551 0.70 CHRNA7 (0.42) CHRNA7ALOX15CHRNB2CHRNA4ADRB1

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
WO-2016122887-A9 OLIGOSACCHARIDE COMPOSITIONS FOR USE ANIMAL FEED AND METHODS OF PRODUCING THEREOF MIDORI USA, INC. (US) 2017-02-02 WO disclosed