SCHEMBL5237291

SCHEMBL5237291

CN(C)CCCOCCCC1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.47
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
FAAH O00519 1/20 0.44
PDE4B Q07343 1/20 0.44
GRIN2B Q13224 5/20 0.43
HTT P42858 1/20 0.43
LCK P06239 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 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
SCHEMBL5231112 0.91 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL5237427 0.88 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL5233374 0.87 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19SIGMAR1
SCHEMBL5232407 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL27675705 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL5235659 0.84 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL20187093 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL1841979 0.83 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL27675706 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL1841198 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19FAAH

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-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed