SCHEMBL2334268

SCHEMBL2334268

CC(C)C#CC1CCCN(CCCC(N)=O)C(=O)C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
GFER P55789 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
APEX1 P27695 1/20 0.31
BLM P54132 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL15719924 0.81 TSHR (0.36) TSHRGFERAPEX1BLMPOLB
SCHEMBL662296 0.75 LMNA (0.53) TSHR
SCHEMBL16059156 0.73 APEX1 (0.36) TSHRAPEX1BLMPOLBL3MBTL1
SCHEMBL15720203 0.73 L3MBTL1 (0.38) TSHRGFEROPRM1OPRL1APEX1
SCHEMBL2331981 0.72 TSHR (0.36) TSHRGFEROPRM1OPRL1APEX1
SCHEMBL660202 0.69 LMNA (0.49) TSHRPOLB
SCHEMBL15719231 0.68 TACR1 (0.45) TSHR
SCHEMBL4575280 0.68 TSHR (0.65) TSHR
SCHEMBL16058765 0.68 GFER (0.37) GFERPOLBL3MBTL1ATM
SCHEMBL16058256 0.67 L3MBTL1 (0.36) OPRM1OPRL1APEX1BLML3MBTL1

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