SCHEMBL2331981

SCHEMBL2331981

NC(=O)CCCN1CCCC(CI)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
GFER P55789 1/20 0.35
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TACR1 P25103 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL15720203 0.84 L3MBTL1 (0.38) TSHRGFERAPEX1BLMOPRM1
SCHEMBL15719924 0.77 TSHR (0.36) TSHRGFERAPEX1BLMATM
SCHEMBL16058256 0.75 L3MBTL1 (0.36) APEX1BLMOPRM1OPRL1L3MBTL1
SCHEMBL17474301 0.74 APEX1 (0.34) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL15719231 0.74 TACR1 (0.45) TSHRSMN1; SMN2TACR1
SCHEMBL4575280 0.74 TSHR (0.65) TSHRALDH1A1MEN1KMT2A
SCHEMBL2334268 0.72 TSHR (0.32) TSHRGFERAPEX1BLMOPRM1
SCHEMBL16059156 0.70 APEX1 (0.36) TSHRAPEX1BLML3MBTL1POLB
SCHEMBL16061700 0.70 ALDH1A1 (0.33) TSHRGFERATML3MBTL1ALDH1A1
SCHEMBL16058765 0.70 GFER (0.37) GFERATML3MBTL1ALDH1A1POLB

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-2533645-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2012-12-19 EP disclosed
WO-2011100373-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-18 WO disclosed