SCHEMBL7476375

SCHEMBL7476375

CCc1cc2nc(Cl)c(Cl)nc2c([N+](=O)[O-])c1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
GLP1R P43220 1/20 0.40
TSHR P16473 2/20 0.37
DCTPP1 Q9H773 13/20 0.36
PGK1 P00558 1/20 0.35
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7464208 0.81 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5722680 0.81 TSHR (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7528422 0.81 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7469633 0.78 TSHR (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7472156 0.75 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7472075 0.75 MEN1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7472189 0.75 EPAS1 (0.40) GLP1RTSHRDCTPP1ALDH1A1
SCHEMBL7466809 0.74 POLB (0.30) POLBHTT
SCHEMBL7471616 0.72 KCNH2 (0.38) GLP1RTSHRALDH1A1
SCHEMBL7471483 0.72 ALDH1A1 (0.39) GLP1RTSHRDCTPP1PGK1ALDH1A1

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
EP-0783495-B1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LTD (GB) 2002-02-27 EP disclosed
US-5863917-A ANXIOLYTIC AGENT, ANTICONVULSANTS, ANALGESICS AND NEUROPROTECTIVES. PFIZER, INC. (US) 1999-01-26 US disclosed
US-5852016-A Quinoxaline derivatives useful in therapy PFIZER INC. (US) 1998-12-22 US disclosed
WO-1997031902-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-04 WO disclosed
EP-0792874-A1 Quinoxaline derivatives useful in therapy Pfizer Limited (GB) 1997-09-03 EP disclosed
WO-1996009295-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LIMITED (GB) 1996-03-28 WO disclosed