SCHEMBL5158426

SCHEMBL5158426

Nc1ccc(N2CCNCCC2=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
PIM1 P11309 3/20 0.40
PIM3 Q86V86 2/20 0.40
CHRNB2 P17787 5/20 0.40
CHRNA4 P43681 5/20 0.40
PIM2 Q9P1W9 1/20 0.36
F10 P00742 1/20 0.36
AKR1C3 P42330 1/20 0.36
ROCK2 O75116 1/20 0.35
HDAC3 O15379 1/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC2 Q92769 1/20 0.34
SLC6A2 P23975 1/20 0.34
CACNA2D1 P54289 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL158236 0.86 SLC6A2 (0.44) HTR6PIM1PIM3CHRNB2CHRNA4
SCHEMBL20037996 0.84 HTR6 (0.42) HTR6PIM1PIM3CHRNB2CHRNA4
SCHEMBL18291654 0.84 PIM1 (0.43) HTR6PIM1PIM3CHRNB2CHRNA4
SCHEMBL1269266 0.81 ALDH1A1 (0.51) HTR6AKR1C3ALDH1A1
SCHEMBL31035634 0.81 ALDH1A1 (0.51) HTR6AKR1C3ALDH1A1
SCHEMBL20249254 0.80 HTR6 (0.40) HTR6PIM1PIM3CHRNB2CHRNA4
SCHEMBL20203473 0.80 HTR6 (0.40) HTR6PIM1PIM3CHRNB2CHRNA4
SCHEMBL2343208 0.80 AKR1C3 (0.49) HTR6AKR1C3ALDH1A1
SCHEMBL12279805 0.78 AKR1C3 (0.50) HTR6AKR1C3ALDH1A1
SCHEMBL18291536 0.78 SLC6A2 (0.56) HTR6PIM1PIM3CHRNB2CHRNA4

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-1740155-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-10 EP disclosed
WO-2005099673-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed