SCHEMBL4683546

SCHEMBL4683546

CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.42
LMNA P02545 4/20 0.41
TSHR P16473 2/20 0.39
POLB P06746 4/20 0.39
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPK10 P53779 1/20 0.38
MEN1 O00255 3/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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 0.90 NPC1 (0.46) LMNAPOLBKMT2ASMN1; SMN2NPC1
SCHEMBL4679382 0.90 NPC1 (0.46) LMNAPOLBKMT2ASMN1; SMN2NPC1
SCHEMBL4683777 0.89 ACKR3 (0.43) LMNATSHRPOLBKMT2ASMN1; SMN2
SCHEMBL4677928 0.89 LMNA (0.46) LMNATSHRKMT2ASMN1; SMN2NPC1
SCHEMBL4680175 0.89 SMN1; SMN2 (0.42) LMNATSHRKMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4682667 0.88 ACKR3 (0.40) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4678644 0.88 CYP2C19 (0.41) LMNAKMT2ASMN1; SMN2NPC1TP53
SCHEMBL4682972 0.88 PPARA (0.40) LMNAPOLBKMT2ASMN1; SMN2NPC1
SCHEMBL4679955 0.87 ACKR3 (0.45) LMNAKMT2ASMN1; SMN2NPC1TP53
SCHEMBL4679962 0.87 ACKR3 (0.45) LMNAKMT2ASMN1; SMN2NPC1TP53

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