SCHEMBL2231867

SCHEMBL2231867

O=C1CC(c2cccc(F)c2)CN1Cc1ncc[nH]1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NLRP3 Q96P20 1/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GRM5 P41594 1/20 0.37
PLA2G7 Q13093 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2232158 0.86 HPGD (0.60) HPGDTSHRNLRP3PDE4APDE4B
SCHEMBL5405962 0.83 HPGD (0.39) HPGDTSHRNLRP3PDE4APDE4B
SCHEMBL24725913 0.79 HPGD (0.58) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL2333026 0.79 QPCT (0.37) HPGDTSHRGRM5
SCHEMBL12471409 0.79 ALOX15 (0.37) HPGDTSHRGRM5ALDH1A1
SCHEMBL2334866 0.78 DPP4 (0.41) HPGDTSHR
SCHEMBL24725852 0.76 ALDH1A1 (0.55) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL2957523 0.76 HPGD (0.48) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL2334074 0.74 HPGD (0.45) HPGDTSHRNLRP3ALDH1A1
SCHEMBL2338174 0.74 SRD5A1 (0.47) HPGDTSHRNLRP3

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-2346500-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2011-07-27 EP disclosed
WO-2010044878-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2010-04-22 WO disclosed