SCHEMBL21167172

SCHEMBL21167172

O=CCCc1nccn1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.44
ALPG P10696 2/20 0.39
PLAA Q9Y263 1/20 0.39
ALPL P05186 1/20 0.38
ESR1 P03372 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 1/20 0.34
CSNK2A2 P19784 2/20 0.33
CSNK2A1 P68400 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL23047605 0.84 ESR1 (0.49) FPR2ESR1SMN1; SMN2
SCHEMBL22356858 0.82 FPR2 (0.39) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL12037553 0.80 ALPG (0.47) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL21167198 0.80 FPR2 (0.50) FPR2ALPGPLAAALPL
SCHEMBL21539525 0.79 FPR2 (0.42) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL21539580 0.79 FPR2 (0.41) FPR2ALPGPLAAALPLCA12
SCHEMBL21167203 0.79 MCL1 (0.38) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL19967938 0.78 ESR1 (0.42) ESR1SMN1; SMN2
SCHEMBL21167269 0.78 FPR2 (0.41) FPR2ALPGPLAAALPLHSP90AA1
SCHEMBL21167223 0.78 FPR2 (0.34) FPR2ALPGPLAAALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511003-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2019-07-17 EP disclosed