SCHEMBL8630538

SCHEMBL8630538

Nc1c(C(F)(F)F)cc(Cl)c2[nH]c(=O)c(=O)[nH]c12.Nc1c(C(F)(F)F)cc2[nH]c(=O)c(=O)[nH]c2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 11/20 0.46
▸ GRIN2D O15399 9/20 0.46
▸ GRIN3B O60391 9/20 0.46
▸ GRIN2A Q12879 9/20 0.46
▸ GRIN2B Q13224 9/20 0.46
▸ GRIN2C Q14957 9/20 0.46
▸ GRIN3A Q8TCU5 9/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ GRIA1 P42261 4/20 0.37
▸ GRIA2 P42262 4/20 0.37
▸ GRIA3 P42263 4/20 0.37
▸ GRIA4 P48058 4/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL8902983 0.92 GRIN1 (0.50) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8902212 0.89 GRIN2D (0.42) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8903252 0.78 GRIN1 (0.59) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7784735 0.75 GRIN1 (0.56) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4707795 0.74 GRIN2D (0.69) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7784707 0.72 GRIN1 (0.47) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4705554 0.71 GRIN1 (0.55) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL2639582 0.69 GRIN2D (0.58) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL462740 0.69 GRIN2D (0.61) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8902826 0.69 GRIN2D (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647137-A4 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. UNIV CALIFORNIA WEBER ECKARD (US) 1998-09-16 — — EP disclosed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 — — EP disclosed
WO-1994000124-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF WEBER ECKARD (US) 1994-01-06 — — WO disclosed
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