SCHEMBL5974273

SCHEMBL5974273

Cc1cc(C(F)(F)F)cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 12/20 0.60
GRIN2D O15399 11/20 0.60
GRIN3B O60391 11/20 0.60
GRIN2A Q12879 11/20 0.60
GRIN2B Q13224 11/20 0.60
GRIN2C Q14957 11/20 0.60
GRIN3A Q8TCU5 11/20 0.60
HSD17B10 Q99714 2/20 0.60
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.42
PGR P06401 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL23269912 0.85 MAPT (0.44) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7779818 0.83 GRIN1 (0.46) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL10285831 0.83 GRIN1 (0.47) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL2639502 0.81 GRIN1 (0.45) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8609931 0.81 GRIN1 (0.45) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL2639004 0.81 GRIN1 (0.59) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL21642466 0.81 GRIN1 (0.50) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5973354 0.78 GRIN1 (0.67) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7787986 0.77 GRIN1 (0.51) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8873491 0.77 GRIN1 (0.41) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-0647137-B1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF UNIV CALIFORNIA (US) 2008-08-13 EP disclosed
EP-0934326-B1 SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS NOVARTIS AG (CH) 2006-05-03 EP disclosed
US-6117873-A CAN BE USED FOR THE TREATMENT OF PATHOLOGICAL CONDITIONS WHICH RESPOND TO BLOCKAGE OF EXCITATORY AMINO ACID RECEPTORS NOVARTIS AG (CH) 2000-09-12 US disclosed
EP-0934326-A1 SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS Novartis AG (CH) 1999-08-11 EP disclosed
WO-1998017672-A1 SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS NOVARTIS AG (CH) 1998-04-30 WO disclosed