SCHEMBL2569643

SCHEMBL2569643

CN1CCN(C(=O)C2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
LMNA P02545 1/20 0.61
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
PPP5C P53041 2/20 0.47
PPP2CA P67775 1/20 0.47
TFPI2 P48307 1/20 0.47
NPY4R P50391 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD11B1 P28845 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42

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
SCHEMBL4539777 0.94 HTT (0.59) HTTLMNAALDH1A1TSHRPPP5C
SCHEMBL8194135 0.88 HTT (0.71) HTTLMNAALDH1A1TSHRPPP5C
SCHEMBL2075903 0.86 HTT (0.81) HTTLMNAALDH1A1TSHRPPP5C
SCHEMBL13779943 0.85 CYP1A2 (0.65) HTTLMNAALDH1A1TSHRPPP5C
SCHEMBL2049321 0.83 ALDH1A1 (0.62) HTTLMNAALDH1A1TSHRHPGD
SCHEMBL484763 0.83 HTT (0.53) HTTLMNAALDH1A1TSHRPPP5C
SCHEMBL16002978 0.82 HTT (0.55) HTTLMNAALDH1A1TSHRPPP5C
SCHEMBL493733 0.82 HPGD (0.61) HTTLMNAALDH1A1TSHRTFPI2
SCHEMBL12632672 0.82 LMNA (0.79) HTTLMNAALDH1A1TSHRPPP5C
SCHEMBL4135869 0.82 LMNA (0.85) HTTLMNAALDH1A1TSHRSMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102325780-B 6-phenyl-2-[((piperidin-4-ylmethyl)-piperazin-1yl) or piperazin 1-ylmethyl)-piperidin-1-yl)]-imidazo[2,1-b][1,3,4]thiadiazole derivatives and their use URIFER LTD 2014-12-03 CN disclosed
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
CN-101528681-B New sulfonamide derivatives as bradykinin antagonists RITCHER GEDEON NYRT 2013-01-30 CN disclosed
CN-102325780-A 6-phenyl-2-[((piperidin-4-yl-methyl)-piperazine-1-yl) be ((piperazine-1-base-methyl)-piperidines-1-yl) perhaps]-imidazoles-[2,1-b] [1,3,4] thiadiazoles derivative and application thereof URIFER LTD 2012-01-18 CN disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
CN-101528681-A New sulfonamide derivatives as bradykinin antagonists RITCHER GEDEON NYRT (HU) 2009-09-09 CN disclosed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO disclosed