SCHEMBL4679512

SCHEMBL4679512

CCCN(CC1CCN(C(=O)N(C)C)CC1)C(C)Cc1ccc(OC)cc1.O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
CHRM3 P20309 2/20 0.37
ALDH1A1 P00352 1/20 0.37
YAP1 P46937 1/20 0.37
ACHE P22303 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 2/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 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
SCHEMBL4685528 0.90 YAP1 (0.36) LMNASMN1; SMN2YAP1
SCHEMBL4679510 0.87 CHRM3 (0.40) LMNARAB9ASMN1; SMN2POLBCHRM3
SCHEMBL4683136 0.85 MMP1 (0.42) LMNARAB9ASMN1; SMN2POLBCHRM3
SCHEMBL4683292 0.85 LMNA (0.40) LMNARAB9ASMN1; SMN2POLBCHRM3
Water SCHEMBL7877668 0.85 LMNA (0.41) LMNARAB9ASMN1; SMN2POLBCHRM3
Water SCHEMBL7873458 0.84 LMNA (0.39) LMNARAB9ASMN1; SMN2POLBCHRM3
SCHEMBL4682652 0.83 YAP1 (0.37) LMNASMN1; SMN2YAP1CYP2D6
Water SCHEMBL4680443 0.83 LMNA (0.38) LMNARAB9ASMN1; SMN2POLBCHRM3
Water SCHEMBL4679971 0.83 LMNA (0.40) LMNARAB9ASMN1; SMN2POLBCHRM3
SCHEMBL4682768 0.83 ALDH1A1 (0.39) LMNARAB9ASMN1; SMN2POLBCHRM3

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