SCHEMBL4680484

SCHEMBL4680484

CCN(CC1CCN(S(=O)(=O)N(C)C)CC1)C(C)Cc1ccc2c(c1)OCCO2.O=C(O)C(O)(C(=O)c1ccccc1)C(O)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.57
CHRM5 P08912 3/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
CTNNB1 P35222 1/20 0.38
MAPT P10636 2/20 0.35
MAPK14 Q16539 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL4682835 0.92 CYP2D6 (0.55) CYP2D6CHRM5POLBMEN1KMT2A
SCHEMBL4680487 0.87 CYP2D6 (0.54) CYP2D6CHRM5POLBMEN1KMT2A
SCHEMBL4680282 0.84 CYP2D6 (0.44) CYP2D6KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL4679943 0.84 CYP2D6 (0.44) CYP2D6CHRM5KMT2AALDH1A1CHRM3
Hydrochloric Acid SCHEMBL4678477 0.79 CYP2D6 (0.79) CYP2D6CHRM5POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL4678469 0.79 CYP2D6 (0.79) CYP2D6CHRM5POLBMEN1KMT2A
Water SCHEMBL4682777 0.79 CYP2D6 (0.61) CYP2D6CHRM5POLBMEN1KMT2A
SCHEMBL4682838 0.79 CYP2D6 (0.53) CYP2D6CHRM5POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL4682654 0.77 CYP2D6 (0.57) CYP2D6CHRM5POLBMEN1KMT2A
SCHEMBL8139276 0.76 CYP2D6 (0.58) CYP2D6CHRM5POLBKMT2ASMN1; SMN2

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-1058680-B1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-6319920-B1 MUSCARINIC RECEPTOR ANTAGONIST USED IN GASTROINTESTINAL, GENITOURINARY TRACT, RESPIRATORY TRACT, CARDIOVASCULAR SYSTEM, CENTRAL NERVOUS SYSTEM DISORDERS AND IN ANESTHESIOLOGY AND OPHTHALMOLOGY SYNTEX (U.S.A.) LLC 2001-11-20 US disclosed
EP-1058680-A1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-12-13 EP disclosed
WO-1999043657-A1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1999-09-02 WO disclosed