SCHEMBL8784353

SCHEMBL8784353

C=Cc1cc(Cl)cc2[nH]c(=O)c(-c3ccccc3)c(O)c12

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.57
GRIN2A Q12879 2/20 0.57
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
GRIN3A Q8TCU5 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL8784579 0.81 GRIN1 (0.70) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8784031 0.79 GRIN1 (0.62) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8784690 0.76 KDM4E (0.59) KDM4ECYP1A2POLBCYP3A4CYP2C9
SCHEMBL1612505 0.75 KDM4E (0.79) KDM4EMAPTCYP1A2POLBCYP3A4
SCHEMBL8783774 0.71 FASN (0.74) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8783859 0.69 GRIN1 (0.70) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8057203 0.69 GRIN1 (0.49) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8784109 0.68 CYP1A2 (0.71) KDM4ECYP1A2POLBCYP3A4CYP2C9
SCHEMBL8784105 0.68 CYP1A2 (0.71) KDM4ECYP1A2POLBCYP3A4CYP2C9
SCHEMBL15193380 0.68 MAPT (0.60) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481676-B1 Hydroxyquinolone derivatives MERCK SHARP & DOHME (GB) 1997-01-29 EP claimed
US-5348962-A Nervous system disorders; schizophrenia MERCK SHARPE & DOHME LTD. 1994-09-20 US claimed
EP-0481676-A1 Hydroxyquinolone derivatives MERCK SHARP & DOHME LTD. (GB) 1992-04-22 EP claimed
EP-0481676-B1 Hydroxyquinolone derivatives MERCK SHARP & DOHME (GB) 1997-01-29 EP disclosed
US-5559125-A NMDA AND AMPA RECEPTOR ANTAGONISTS, SCHIZOPHRENIA MERCK, SHARP & DOHME LIMITED (GB) 1996-09-24 US disclosed
US-5348962-A Nervous system disorders; schizophrenia MERCK SHARPE & DOHME LTD. 1994-09-20 US disclosed
EP-0481676-A1 Hydroxyquinolone derivatives MERCK SHARP & DOHME LTD. (GB) 1992-04-22 EP disclosed