SCHEMBL4680175

SCHEMBL4680175

CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2ccc(C(=O)OC)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.42
MAPK1 P28482 4/20 0.42
LMNA P02545 7/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 5/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
ACKR3 P25106 1/20 0.37

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
SCHEMBL4679711 0.93 NPC1 (0.46) SMN1; SMN2MAPK1LMNARAB9ANPC1
SCHEMBL4679382 0.93 NPC1 (0.46) SMN1; SMN2MAPK1LMNARAB9ANPC1
Hydrochloric Acid SCHEMBL4683523 0.93 ACKR3 (0.41) SMN1; SMN2MAPK1LMNARAB9ANPC1
SCHEMBL4682972 0.92 PPARA (0.40) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL4678644 0.92 CYP2C19 (0.41) SMN1; SMN2MAPK1LMNARAB9ANPC1
SCHEMBL4679962 0.92 ACKR3 (0.45) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL4679955 0.92 ACKR3 (0.45) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL4680425 0.92 NPC1 (0.40) SMN1; SMN2MAPK1LMNARAB9ANPC1
SCHEMBL4679674 0.92 ACKR3 (0.46) SMN1; SMN2RAB9ANPC1KDM4ECASP3
Hydrochloric Acid SCHEMBL4680041 0.91 MCHR1 (0.40) SMN1; SMN2LMNARAB9ANPC1TP53

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