SCHEMBL27361377

SCHEMBL27361377

C=CC(=O)Nc1cc(C)ccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 7/20 0.54
TGM2 P21980 7/20 0.54
TGM1 P22735 7/20 0.54
TGM3 Q08188 1/20 0.52
BACE1 P56817 7/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL16123372 0.88 F13A1 (0.52) F13A1TGM2TGM1TGM3BACE1
SCHEMBL27361372 0.82 UCHL3 (0.51) TGM2MEN1KMT2ASMN1; SMN2
SCHEMBL2366523 0.80 GPR119 (0.51) F13A1TGM2TGM1MEN1KMT2A
SCHEMBL2366297 0.77 GPR119 (0.52) BACE1MEN1KMT2ACYP2C19SMN1; SMN2
SCHEMBL6492674 0.76 GPR119 (0.52) MEN1KMT2ACYP2C19SMN1; SMN2GPR119
SCHEMBL3929365 0.76 L3MBTL1 (0.55) MEN1KMT2ACYP2C19SMN1; SMN2GPR119
SCHEMBL13778231 0.76 GPR119 (0.51) MEN1KMT2ACYP2C19SMN1; SMN2GPR119
SCHEMBL4439841 0.76 SMARCA2 (0.54) MEN1KMT2ACYP2C19SMN1; SMN2GPR119
SCHEMBL16519627 0.76 BACE1 (0.59) BACE1MEN1KMT2ACYP2C19SMN1; SMN2
SCHEMBL8716846 0.75 WDR5 (0.48) MEN1KMT2ASMN1; SMN2LMNANPSR1

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-2024048809-A1 HETEROARYL DERIVATIVE CONTAINING N, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 보로노이 주식회사 2024-03-07 WO disclosed