SCHEMBL7074944

SCHEMBL7074944

CN1CC[N+](C)(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CHRNB2 P17787 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 3/20 0.39
DRD1 P21728 2/20 0.39
DRD3 P35462 2/20 0.39
MC4R P32245 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
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
APOBEC3G Q9HC16 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
Iodide SCHEMBL3636049 0.98 POLB (0.42) CYP3A4ALOX15CHRNB2NFKB1MAPK1
Hydrochloric Acid SCHEMBL8022255 0.98 CYP3A4 (0.39) CYP3A4ALOX15CHRNB2NFKB1MAPK1
SCHEMBL5281905 0.77 APOBEC3A (0.37) CYP3A4ALOX15CHRNB2NFKB1MAPK1
SCHEMBL5944513 0.75 APOBEC3A (0.40) CYP3A4ALOX15CHRNB2NFKB1MAPK1
SCHEMBL13223522 0.72 SIRT6 (0.54) MAPK1HSD17B10POLBMEN1KMT2A
Acetamide SCHEMBL18425023 0.71 MAPT (0.40) HSD17B10POLBKMT2A
SCHEMBL15293601 0.71 CYP1A2 (0.43) CYP3A4ALOX15CHRNB2NFKB1MAPK1
SCHEMBL11163692 0.70 HPGDS (0.34) CYP3A4ALOX15CHRNB2NFKB1MAPK1
Acetamide SCHEMBL9275850 0.70 HSD17B10 (0.39) HSD17B10POLBMC4RMEN1KMT2A
SCHEMBL7776562 0.69 MC4R (0.48) CYP3A4ALOX15CHRNB2NFKB1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831772-A2 INTRAURETHRAL PHARMACOTHERAPY OF INCONTINENCE IOTEK, INC. (US) 1998-04-01 EP claimed
WO-1996040054-A2 INTRAURETHRAL PHARMACOTHERAPY OF INCONTINENCE IOTEK, INC. (US) 1996-12-19 WO claimed
WO-2021046532-A1 ADMINISTRATION OF THERAPEUTIC AGENTS TO BRAIN AND OTHER CELLS AND TISSUE THE JOHNS HOPKINS UNIVERSITY (US) 2021-03-11 WO disclosed
WO-2015179258-A2 MRI-GUIDED INTRAARTERIAL CATHETER-BASED METHOD FOR PREDICTING TERRITORY OF LOCAL BLOOD BRAIN BARRIER OPENING THE JOHNS HOPKINS UNIVERSITY (US) 2015-11-26 WO disclosed
EP-1319070-A2 MAMMALIAN RECEPTOR GENES AND USES Oregon Health & Science University (US) 2003-06-18 EP disclosed
WO-2002022801-A2 MAMMALIAN RECEPTOR GENES AND USES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2002-03-21 WO disclosed
WO-1999054451-A1 NEUROENDOCRINE CELLS SECRETING INSULIN ANS USES THEREOF VANDERBILT UNIVERSITY (US) 1999-10-28 WO disclosed
EP-0946726-A2 A VARIANT HUMAN ALPHA-7 ACETYLCHOLINE RECEPTOR SUBUNIT, AND METHODS OF PRODUCTION AND USE THEREOF Abbott Laboratories (US) 1999-10-06 EP disclosed
WO-1998028331-A2 A VARIANT HUMAN ALPHA-7 ACETYLCHOLINE RECEPTOR SUBUNIT, AND METHODS OF PRODUCTION AND USE THEREOF ABBOTT LABORATORIES (US) 1998-07-02 WO disclosed
WO-1998000119-A2 APPLICATIONS OF ACTIVE SUBSTANCES AFFECTING THE FUNCTIONS OF NON NEURONAL ACETYLCHOLINE BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-01-08 WO disclosed
WO-1995013299-A1 HUMAN NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR COMPOSITIONS AND METHODS EMPLOYING SAME THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1995-05-18 WO disclosed