SCHEMBL5280148

SCHEMBL5280148

O=C(O)N1CCN(c2ccc(C(=O)C(F)(F)F)c(NCc3cc(Cl)cc(Cl)c3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.43
ENPP2 Q13822 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
HTR6 P50406 4/20 0.39
SERPINE1 P05121 1/20 0.39
MAPT P10636 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GRM5 P41594 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
SCHEMBL1748702 0.87 SMN1; SMN2 (0.50) ENPP2MEN1LMNAHTTKMT2A
SCHEMBL1748204 0.87 HTR6 (0.50) ACLYHTTHTR6MAPTGAA
Hydrochloric Acid SCHEMBL1748368 0.86 HTR6 (0.49) ACLYHTTHTR6MAPTGAA
SCHEMBL5283022 0.78 MAPT (0.45) ACLYENPP2MEN1LMNAHTT
SCHEMBL5280864 0.78 SMN1; SMN2 (0.47) MEN1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL5272631 0.77 HTR6 (0.46) HTTHTR6MAPTPOLBALDH1A1
SCHEMBL1748251 0.77 ACLY (0.50) ACLYMAPTALOX15
SCHEMBL1748250 0.74 SMN1; SMN2 (0.51) MEN1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL5389938 0.74 HTR6 (0.42) MEN1LMNAKMT2ASMN1; SMN2HTR6
SCHEMBL475619 0.72 ADRB1 (0.46) HTTHTR6MAPTGAAALDH1A1

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