SCHEMBL9937434

SCHEMBL9937434

O=C(OC1CCCC1)C1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
PRSS1 P07477 2/20 0.35
F2 P00734 1/20 0.35
TPSAB1 Q15661 7/20 0.33
TPSD1 Q9BZJ3 7/20 0.33
TPSG1 Q9NRR2 7/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 1/20 0.31
HTT P42858 1/20 0.31
BCHE P06276 1/20 0.31
AGTR2 P50052 1/20 0.31

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
SCHEMBL375890 0.85 PDE4B (0.43) EPHX1ALDH1A1
SCHEMBL16458941 0.83 HSD17B10 (0.46) EPHX1
SCHEMBL9937440 0.81 PRSS1 (0.39) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL375867 0.79 CHRM3 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1833567 0.76 MMP2 (0.41) ALDH1A1TSHR
SCHEMBL376353 0.75 HTR6 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL919018 0.75 AGTR2 (0.47) AGTR2
SCHEMBL8402776 0.75 AGTR2 (0.47) AGTR2
SCHEMBL6653686 0.75 AGTR2 (0.47) AGTR2
SCHEMBL18952875 0.72 POLB (0.35) TSHRL3MBTL1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864318-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS Chroma Therapeutics Ltd. (GB) 2015-04-29 EP disclosed
WO-2014001802-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2014-01-03 WO disclosed
EP-2651454-A1 IMAGING AGENTS Chroma Therapeutics Ltd. (GB) 2013-10-23 EP disclosed
WO-2012080705-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2012-06-21 WO disclosed