SCHEMBL4137576

SCHEMBL4137576

O=C(c1ccc(N2CCNCC2)cc1NCCc1ccccc1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.60
AOC3 Q16853 1/20 0.46
FAAH O00519 1/20 0.46
CETP P11597 1/20 0.45
ASAH1 Q13510 1/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCD O00767 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5272631 0.88 HTR6 (0.46) HTR6AOC3CETPPOLBMAPT
SCHEMBL3920646 0.87 HTR6 (0.50) HTR6FAAHPOLBMAPT
SCHEMBL3919507 0.85 HTR6 (0.48) HTR6AOC3CETPPOLBMAPT
Hydrochloric Acid SCHEMBL5276815 0.84 HTR6 (0.47) HTR6AOC3CETPPOLBMAPT
SCHEMBL5277473 0.82 HTR6 (0.58) HTR6MAPTNPSR1SCDALDH1A1
SCHEMBL475569 0.81 HDAC4 (0.47) HTR6AOC3MAPTALDH1A1
Hydrochloric Acid SCHEMBL1748931 0.80 HDAC4 (0.46) HTR6AOC3MAPTALDH1A1
SCHEMBL1748204 0.79 HTR6 (0.50) HTR6AOC3MAPTALDH1A1
Hydrochloric Acid SCHEMBL1748368 0.78 HTR6 (0.49) HTR6AOC3MAPTALDH1A1
SCHEMBL5275083 0.77 HDAC3 (0.48) HTR6RXFP1POLBMAPTALDH1A1

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-2037925-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS Epix Delaware, Inc. (US) 2009-03-25 EP claimed
WO-2008002539-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC. (US) 2008-01-03 WO claimed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP claimed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO claimed