SCHEMBL5233374

SCHEMBL5233374

CN(C)C(=O)COCCCC1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2C19 P33261 1/20 0.43
LCK P06239 1/20 0.42
HTT P42858 1/20 0.42
FAAH O00519 1/20 0.42
PDE4B Q07343 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
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP30 Q70CQ3 1/20 0.41
GRIN2B Q13224 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
BCL9 O00512 1/20 0.40

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
SCHEMBL5232407 0.89 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL5237291 0.87 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL30793278 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL27675705 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL5237427 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL5235677 0.85 PARP1 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL1841979 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL27675706 0.82 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL5235659 0.81 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL1841160 0.81 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19LCK

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