SCHEMBL7565972

SCHEMBL7565972

C[N+]1(c2ccccc2)CC=CCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.34
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
CHRNB2 P17787 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
APOBEC3A P31941 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL5281905 0.70 APOBEC3A (0.37) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL5944513 0.69 APOBEC3A (0.40) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL15293601 0.65 CYP1A2 (0.43) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL7074944 0.64 CYP3A4 (0.41) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
Iodide SCHEMBL3636049 0.62 POLB (0.42) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
Hydrochloric Acid SCHEMBL8022255 0.62 CYP3A4 (0.39) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL1641599 0.62
Cyanamide SCHEMBL15435940 0.61 CHRM2 (0.32) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL7938935 0.61
Iodide SCHEMBL22032686 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911417-B1 Enzyme-based assay for determining effects of exogenous and endogenous factors on cellular energy production BIRKMAYER PHARMACEUTICALS INC (US) 2002-08-28 EP disclosed
US-6383771-B1 MIXING SAMPLE OF WHOLE BLOOD FROM SUBJECT WHICH INCLUDES ENDOGENOUS OXIDOREDUCTASE WITH SUBSTRATE FOR THE ENZYME, MEASURING AMOUNT OF SUBSTRATE REDUCED, AND CORRELATING THAT AMOUNT WITH ENERGY PRODUCING CAPACITY OF CELLS IN SAMPLE BIRKMAYER PHARMACEUTICALS 2002-05-07 US disclosed
US-6248552-B1 ADDING REDUCED NICOTINAMIDE-ADENINE DINUCLEOTIDE TO SAMPLE OF WHOLE BLOOD CONTAINING ENDOGENOUS OXIDOREDUCTASE, MEASURING AMOUNT OXIDIZED, THEN CORRELATING AMOUNT WITH ENERGY CAPACITY OF CELLS IN SAMPLE BIRKMAYER PHARMACEUTICALS 2001-06-19 US disclosed
EP-0911417-A2 Enzyme-based assay for determining effects of exogenous and endogenous factors on cellular energy production Birkmayer Pharmaceuticals, Inc. (US) 1999-04-28 EP disclosed