SCHEMBL5280864

SCHEMBL5280864

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)C(F)(F)F)c(NCCc3cc(Cl)cc(Cl)c3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR6 P50406 1/20 0.45
MAPT P10636 6/20 0.43
PDK2 Q15119 1/20 0.42
P2RX7 Q99572 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C19 P33261 1/20 0.41
STS P08842 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.39
ALK Q9UM73 2/20 0.39
TSHR P16473 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NAMPT P43490 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
SCHEMBL1748702 0.91 SMN1; SMN2 (0.50) SMN1; SMN2HTTNPSR1MAPTPDK2
SCHEMBL5277473 0.89 HTR6 (0.58) SMN1; SMN2HTTNPSR1HTR6MAPT
SCHEMBL5279597 0.89 SMN1; SMN2 (0.47) SMN1; SMN2HTTNPSR1HTR6MAPT
SCHEMBL5272631 0.82 HTR6 (0.46) HTTNPSR1HTR6MAPTP2RX7
SCHEMBL1748154 0.81 SMN1; SMN2 (0.43) SMN1; SMN2HTTNPSR1MAPTPDK2
SCHEMBL1748250 0.80 SMN1; SMN2 (0.51) SMN1; SMN2HTTNPSR1MAPTPDK2
SCHEMBL5280148 0.78 ACLY (0.43) SMN1; SMN2HTTNPSR1HTR6MAPT
SCHEMBL14992409 0.77 SMN1; SMN2 (0.48) SMN1; SMN2HTTNPSR1MAPTPDK2
SCHEMBL5274095 0.75 HTR6 (0.57) SMN1; SMN2HTTHTR6MAPTMEN1
SCHEMBL1748342 0.75 SMN1; SMN2 (0.52) SMN1; SMN2HTTNPSR1MAPTP2RX7

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-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO disclosed