SCHEMBL4679510

SCHEMBL4679510

CCCN(CC1CCN(C(=O)N(C)C)CC1)C(C)Cc1ccc(OC)cc1.O=C(O)C(O)(C(=O)c1ccccc1)C(O)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.40
ACHE P22303 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 1/20 0.37
CHRM4 P08173 1/20 0.36
YAP1 P46937 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36

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
Water SCHEMBL4677926 0.93 CHRM3 (0.40) CHRM3ACHESMN1; SMN2LMNARAB9A
SCHEMBL4685525 0.90 YAP1 (0.36) SMN1; SMN2LMNAYAP1
SCHEMBL4679512 0.87 LMNA (0.37) CHRM3ACHESMN1; SMN2LMNARAB9A
Water SCHEMBL4680951 0.86 LMNA (0.41) CHRM3ACHESMN1; SMN2LMNARAB9A
Water SCHEMBL4682504 0.85 ACP1 (0.42) CHRM3SMN1; SMN2LMNARAB9APOLB
SCHEMBL4683131 0.84 GPR119 (0.42) CHRM3SMN1; SMN2LMNARAB9APOLB
Water SCHEMBL7877665 0.84 LMNA (0.42) CHRM3SMN1; SMN2LMNARAB9APOLB
Water SCHEMBL7873457 0.84 CHRM3 (0.41) CHRM3ACHESMN1; SMN2LMNARAB9A
SCHEMBL4682648 0.83 YAP1 (0.36) SMN1; SMN2LMNAYAP1
Water SCHEMBL4679966 0.82 SMN1; SMN2 (0.41) CHRM3SMN1; SMN2LMNARAB9APOLB

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