SCHEMBL4677928

SCHEMBL4677928

CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2cccc(OC)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 3/20 0.46
TP53 P04637 3/20 0.46
CCR2 P41597 1/20 0.43
ACKR3 P25106 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
KCNA5 P22460 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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) LMNASMN1; SMN2RAB9ANPC1TP53
SCHEMBL4679382 0.93 NPC1 (0.46) LMNASMN1; SMN2RAB9ANPC1TP53
SCHEMBL4680175 0.90 SMN1; SMN2 (0.42) LMNASMN1; SMN2RAB9ANPC1TP53
SCHEMBL4683546 0.89 SMO (0.42) LMNASMN1; SMN2RAB9ANPC1TP53
SCHEMBL4682657 0.89 RAB9A (0.44) LMNASMN1; SMN2RAB9ANPC1TP53
Hydrochloric Acid SCHEMBL4680076 0.89 NPC1 (0.44) LMNASMN1; SMN2RAB9ANPC1TP53
SCHEMBL4678644 0.88 CYP2C19 (0.41) LMNASMN1; SMN2RAB9ANPC1TP53
SCHEMBL4682972 0.88 PPARA (0.40) LMNASMN1; SMN2RAB9ANPC1TP53
Hydrochloric Acid SCHEMBL4682831 0.88 NPC1 (0.44) LMNASMN1; SMN2RAB9ANPC1TP53
SCHEMBL4679962 0.87 ACKR3 (0.45) LMNASMN1; SMN2RAB9ANPC1TP53

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