SCHEMBL4898465

SCHEMBL4898465

c1ccc([N+]23CCN(CC2)CC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 2/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA7 P36544 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CHRNB2 P17787 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRNA4 P43681 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HIF1A Q16665 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
APOBEC3A P31941 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
SIGMAR1 Q99720 2/20 0.31
NPC1 O15118 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
SCHEMBL4903817 0.81 ALDH1A1 (0.33) CHRNA3CHRNB4CHRNA7CYP3A4ALOX15
SCHEMBL4898459 0.70 CHRNA7 (0.33) CHRNA3CHRNB4CHRNA7CHRNB2CHRNA4
SCHEMBL840566 0.65 HIF1A (0.59) CHRNA3CHRNB4CHRNB2CHRNA4HIF1A
SCHEMBL19579581 0.65
Water SCHEMBL16037174 0.64 HIF1A (0.57) CHRNA3CHRNB4CHRNB2CHRNA4HIF1A
SCHEMBL4893829 0.64 CYP1A2 (0.35) CHRNA3CHRNB4CHRNA7CYP3A4ALOX15
SCHEMBL15282149 0.64 CYP1A2 (0.35) CHRNA3CHRNB4CHRNA7CYP3A4ALOX15
SCHEMBL16076526 0.63 CHRNA3 (0.41) CHRNA3CHRNB4CHRNA7CYP3A4ALOX15
SCHEMBL1730718 0.61 CHRNA3 (0.35) CHRNA3CHRNB4CHRNA7CYP3A4ALOX15
SCHEMBL7074944 0.61 CYP3A4 (0.41) CHRNA3CHRNA7CYP3A4ALOX15CHRNB2

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
EP-1867667-B1 Method for manufacturing stabilized polyacetal resin POLYPLASTICS CO (JP) 2012-10-31 EP disclosed
US-20080271381-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin POLYPLASTICS CO., LTD (JP) 2008-11-06 US disclosed
EP-1867667-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin Polyplastics Co., Ltd. (JP) 2007-12-19 EP disclosed