SCHEMBL25827535

SCHEMBL25827535

CNC(=O)[C@H]1CCCCN1CCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
CACNA1H O95180 1/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
KCNK3 O14649 1/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL20545129 0.83 EPHX1 (0.46) EPHX1CACNA1HLMNADRD2TDP1
SCHEMBL18851364 0.83 EPHX1 (0.46) EPHX1CACNA1HACHEBACE1DRD2
SCHEMBL18851365 0.83 EPHX1 (0.46) EPHX1CACNA1HACHEBACE1DRD2
SCHEMBL337969 0.82 EPHX1 (0.45) EPHX1CACNA1HDRD2TDP1MEN1
SCHEMBL7131093 0.82 EPHX1 (0.45) EPHX1CACNA1HACHEBACE1DRD2
SCHEMBL22151747 0.82 EPHX1 (0.45) EPHX1CACNA1HDRD2TDP1MEN1
SCHEMBL6828378 0.82 EPHX1 (0.45) EPHX1CACNA1HACHEBACE1DRD2
SCHEMBL24951474 0.82 ACHE (0.53) EPHX1CACNA1HACHEBACE1MEN1
SCHEMBL24951714 0.82 ACHE (0.53) EPHX1CACNA1HACHEBACE1MEN1
SCHEMBL22151806 0.79 ALDH1A1 (0.51) EPHX1CACNA1HDRD2MEN1KMT2A

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-2023129518-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2023-07-06 WO disclosed