SCHEMBL5505281

SCHEMBL5505281

CC(C)(C)OC(=O)N(CCC(=O)O)C1CCN(C(=O)OCc2ccccc2)CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C

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
HTT P42858 1/20 0.48
CYP2C19 P33261 1/20 0.47
HSD11B1 P28845 1/20 0.47
GRIN2B Q13224 4/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
STS P08842 1/20 0.43
CCR5 P51681 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
CYP3A4 P08684 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
ENPP2 Q13822 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
SCHEMBL2854664 0.96 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2879695 0.89 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2827198 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL20660332 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6125634 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL9008880 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL16095894 0.85 HTT (0.50) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL3252914 0.83 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL4906595 0.83 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL16095464 0.82 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748985-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS Takeda Pharmaceutical Company Limited (JP) 2007-02-07 EP disclosed
WO-2005113504-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-01 WO disclosed