SCHEMBL9937440

SCHEMBL9937440

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.39
F2 P00734 2/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AGTR2 P50052 1/20 0.38
TPSAB1 Q15661 12/20 0.36
TPSD1 Q9BZJ3 12/20 0.36
TPSG1 Q9NRR2 12/20 0.36
RAB9A P51151 1/20 0.35
BCHE P06276 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
SCHEMBL5253414 0.83 HSD17B10 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL13604577 0.83 HSD17B10 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL9937434 0.81 CHRM2 (0.37) PRSS1F2ALDH1A1AGTR2TPSAB1
SCHEMBL12820517 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL16458941 0.78 HSD17B10 (0.46) SMN1; SMN2
SCHEMBL31713595 0.78 TSHR (0.44) ALDH1A1SMN1; SMN2AGTR2RAB9A
SCHEMBL31754849 0.78 TSHR (0.44) ALDH1A1SMN1; SMN2AGTR2RAB9A
SCHEMBL375868 0.76 TPSAB1 (0.36) PRSS1ALDH1A1SMN1; SMN2AGTR2TPSAB1
SCHEMBL8402776 0.76 AGTR2 (0.47) AGTR2
SCHEMBL6653686 0.76 AGTR2 (0.47) AGTR2

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