SCHEMBL4679112

SCHEMBL4679112

CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2cccc3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CNR1 P21554 1/20 0.43
ACKR3 P25106 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.38
BACE1 P56817 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
CCR8 P51685 1/20 0.36
HIF1A Q16665 1/20 0.36
PARP1 P09874 1/20 0.36
SENP1 Q9P0U3 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
SCHEMBL4683777 0.89 ACKR3 (0.43) LMNAACKR3ALDH1A1KMT2APOLB
Hydrochloric Acid SCHEMBL4679848 0.88 MTTP (0.39) LMNAKDM4EALDH1A1
SCHEMBL4682657 0.88 RAB9A (0.44) LMNAACKR3KDM4EALDH1A1MEN1
SCHEMBL8129128 0.88 HTT (0.40) LMNAALDH1A1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL4682452 0.87 ALDH1A1 (0.40) LMNAALDH1A1POLBSMN1; SMN2
SCHEMBL4682514 0.86 LMNA (0.42) LMNAKDM4EALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4683407 0.86 NPC1 (0.44) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL4678644 0.86 CYP2C19 (0.41) LMNAACKR3KDM4EALDH1A1MEN1
SCHEMBL4682972 0.86 PPARA (0.40) LMNAACKR3ALDH1A1MEN1KMT2A
SCHEMBL4679962 0.85 ACKR3 (0.45) LMNAACKR3ALDH1A1MEN1KMT2A

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