SCHEMBL22097686

SCHEMBL22097686

CCCNC[C@H](C)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PAOX Q6QHF9 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA14 Q9ULX7 3/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 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
SCHEMBL28114271 0.85 ANPEP (0.47) ANPEPCA1CA2ZDHHC7TSHR
SCHEMBL28113852 0.85 ANPEP (0.47) ANPEPCA1CA2ZDHHC7TSHR
SCHEMBL23102141 0.84 SMN1; SMN2 (0.42) CA1CA2ZDHHC7SMN1; SMN2HSD17B10
SCHEMBL21359152 0.84 SMN1; SMN2 (0.42) CA1CA2ZDHHC7SMN1; SMN2HSD17B10
SCHEMBL10836597 0.83 ANPEP (0.42) ANPEPCA1CA2ZDHHC7SMN1; SMN2
SCHEMBL7427794 0.83 KDM4E (0.40) CA1CA2ZDHHC7SMN1; SMN2CHRNB2
SCHEMBL23418589 0.82 SMN1; SMN2 (0.34) SMN1; SMN2CA14SCN1ASCN2ASCN3A
SCHEMBL3668467 0.82 ANPEP (0.36) ANPEPCA1CA2ZDHHC7SMN1; SMN2
SCHEMBL11387958 0.80 CA14 (0.42) ANPEPCA1CA2SMN1; SMN2PAOX
SCHEMBL11372807 0.79 PAOX (0.42) ANPEPCA1CA2SMN1; SMN2PAOX

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-3331884-B1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN SEIYAKU KK (JP) 2020-06-17 EP disclosed