SCHEMBL8522162

SCHEMBL8522162

O=C1CN(C(=O)OCc2ccccc2)CN1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
GRIN2B Q13224 5/20 0.48
TMEM97 Q5BJF2 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
HTR2C P28335 2/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
HRH2 P25021 1/20 0.48
HTR1B P28222 1/20 0.48

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
SCHEMBL92518 0.86 L3MBTL1 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3074986 0.83 MEN1 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23123716 0.80 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1488412 0.80 KMT2A (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL20994628 0.80 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7502314 0.78 MAPK1 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3970912 0.77 MEN1 (0.76) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL379160 0.77 MEN1 (0.76) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4814264 0.77 MEN1 (0.76) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7393652 0.77 MEN1 (0.76) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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-0592643-B1 PLEUROMUTILIN DERIVATIVES BIOCHEMIE GMBH (AT) 1999-09-08 EP disclosed