SCHEMBL9054203

SCHEMBL9054203

CN(C)C(=O)CN1CCCN(C2CCCCN2C(=O)OCc2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.44
TMEM97 Q5BJF2 4/20 0.44
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
FKBP1A P62942 4/20 0.42
PREP P48147 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACE2 Q9BYF1 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7049415 0.85 SMN1; SMN2 (0.50) FKBP1AL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL9047694 0.74 PREP (0.50) SIGMAR1TMEM97CTSBCTSSCTSK
SCHEMBL2859914 0.73 SMN1; SMN2 (0.53) FKBP1AL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL2860475 0.73 SMN1; SMN2 (0.50) FKBP1ATSHRL3MBTL1LMNANPC1
SCHEMBL1190089 0.73 PREP (0.58) CTSBCTSSCTSKFKBP1APREP
SCHEMBL27848134 0.73 PREP (0.58) CTSBCTSSCTSKFKBP1APREP
SCHEMBL25678350 0.73 PREP (0.58) CTSBCTSSCTSKFKBP1APREP
SCHEMBL3534026 0.73 SMN1; SMN2 (0.55) FKBP1ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL30722459 0.72 SIGMAR1 (0.51) SIGMAR1TMEM97FKBP1APREPNPC1
SCHEMBL2861163 0.71 SMN1; SMN2 (0.57) FKBP1ANPC1RAB9ASMN1; SMN2

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-0714392-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1996-06-05 EP disclosed