SCHEMBL4685890

SCHEMBL4685890

CCCN(CC1CCN(S(C)(=O)=O)CC1)C(C)Cc1ccc(NC(=O)C2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
TSHR P16473 2/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
POLB P06746 1/20 0.55
ALDH1A1 P00352 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.47
CYP2D6 P10635 1/20 0.47
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
Hydrochloric Acid SCHEMBL4685531 0.89 SMN1; SMN2 (0.48) MEN1KMT2ATSHRGAANPSR1
Hydrochloric Acid SCHEMBL4685535 0.89 SMN1; SMN2 (0.48) MEN1KMT2ATSHRGAANPSR1
Hydrochloric Acid SCHEMBL4678437 0.83 ABL1 (0.46) TSHRALDH1A1
SCHEMBL4678669 0.83 CYP2D6 (0.49) MEN1KMT2ATSHRGAANPSR1
Hydrochloric Acid SCHEMBL4683436 0.82 CYP2D6 (0.52) MEN1KMT2ATSHRGAANPSR1
Hydrochloric Acid SCHEMBL4679742 0.82 CYP2D6 (0.53) MEN1KMT2ATSHRGAANPSR1
Hydrochloric Acid SCHEMBL4678397 0.81 MEN1 (0.50) MEN1KMT2ATSHRGAANPSR1
SCHEMBL4683873 0.80 CYP2D6 (0.55) MEN1KMT2ATSHRGAANPSR1
Hydrochloric Acid SCHEMBL4679817 0.79 CYP2D6 (0.57) MEN1KMT2ATSHRGAANPSR1
Hydrochloric Acid SCHEMBL4682628 0.78 CYP2D6 (0.48) MEN1KMT2ATSHRGAANPSR1

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 2 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