SCHEMBL7643597

SCHEMBL7643597

Cc1c[nH]c(=O)n(CC(=O)Cl)c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.63
GRIN2D O15399 3/20 0.39
GRIN3B O60391 3/20 0.39
GRIA1 P42261 3/20 0.39
GRIA2 P42262 3/20 0.39
GRIA3 P42263 3/20 0.39
GRIA4 P48058 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN3A Q8TCU5 3/20 0.39
ADRA1A P35348 6/20 0.35
ADRA1B P35368 6/20 0.35
ADRA1D P25100 5/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL2153695 0.86 SLC9A1 (0.63) SLC9A1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL7641949 0.80 SLC9A1 (0.57) SLC9A1CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL8876920 0.77 SLC9A1 (0.53) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6926451 0.76 SLC9A1 (0.52) SLC9A1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL6266889 0.76 SLC9A1 (0.52) SLC9A1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL1058810 0.76 SLC9A1 (0.55) SLC9A1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL15110502 0.76 SLC9A1 (0.51) SLC9A1ADRA1AADRA1BADRA1DCYP3A4
SCHEMBL11473781 0.75 SLC9A1 (0.51) SLC9A1GRIN1GRIN2BCYP3A4CYP2C9
SCHEMBL11473786 0.75 SLC9A1 (0.51) SLC9A1GRIN1GRIN2BCYP3A4CYP2C9
SCHEMBL3792986 0.74 SLC9A1 (0.47) SLC9A1ADRA1AADRA1BADRA1DCYP3A4

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
US-6465650-B1 INTERMEDIATE STEPS IN PREPARING PEPTIDE NUCLEIC ACIDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-10-15 US disclosed
US-6316595-B1 PNA synthesis using a base-labile amino protecting group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-13 US disclosed
US-6075143-A USEFUL FOR FORMING PEPTIDE NUCLEIC ACIDS OR HYBRID OF PEPTIDE NUCLEIC ACIDS AND DEOXYNUCLEIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed