SCHEMBL2332686

SCHEMBL2332686

O=C1CC(c2cc(F)cc(F)c2F)CN1Cc1cnc(CCl)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.35
HCAR2 Q8TDS4 2/20 0.33
DPP4 P27487 3/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL2333026 0.78 QPCT (0.37) QPCTHCAR2DPP4HPGDTSHR
SCHEMBL5056668 0.78 QPCT (0.37) QPCTHCAR2DPP4HPGDTSHR
SCHEMBL2754283 0.78 HCAR2 (0.37) QPCTHCAR2DPP4HPGDTSHR
SCHEMBL2334323 0.77 LMNA (0.38) DPP4HPGDTSHRGRM5
SCHEMBL30361116 0.77 LMNA (0.38) DPP4HPGDTSHRGRM5
SCHEMBL29868304 0.76 QPCT (0.42) QPCTHCAR2DPP4HPGDTSHR
SCHEMBL15385182 0.76 QPCT (0.42) QPCTHCAR2DPP4HPGDTSHR
SCHEMBL2335963 0.76 GRM5 (0.36) QPCTHCAR2DPP4HPGDTSHR
SCHEMBL5135310 0.76 QPCT (0.34) QPCTHCAR2DPP4HPGDTSHR
SCHEMBL1665578 0.75 DPP4 (0.36) HCAR2DPP4HPGDTSHRGRM5

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