SCHEMBL30867062

SCHEMBL30867062

CNCCOC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.55
CARM1 Q86X55 2/20 0.54
PRMT6 Q96LA8 2/20 0.54
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
PRMT8 Q9NR22 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
GRIN2B Q13224 9/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP2D6 P10635 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP3A4 P08684 3/20 0.48
ENPP2 Q13822 1/20 0.47
F13A1 P00488 1/20 0.46

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
SCHEMBL21997561 0.93 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL4112297 0.85 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL31522149 0.85 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1320183 0.85 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL4111032 0.85 HTT (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL79596 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL23673639 0.84 HTT (0.53) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL12425238 0.84 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6654650 0.83 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL30380317 0.83 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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
WO-2024077244-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS HOTSPOT THERAPEUTICS, INC. (US) 2024-04-11 WO disclosed