SCHEMBL25937798

SCHEMBL25937798

Cc1nnc2n1CCN(C(=O)CNC(=O)OC(C)(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 3/20 0.45
P2RX7 Q99572 1/20 0.42
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
NOTUM Q6P988 1/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
PDK2 Q15119 1/20 0.38
TACR3 P29371 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
BRD4 O60885 2/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL25937808 0.85 DPP4 (0.49) SIGMAR1DPP4DPP8
SCHEMBL25430234 0.83 NOTUM (0.43) P2RX7DRD2DRD3NOTUMPDK2
SCHEMBL10095021 0.79 NR1H2 (0.47) ALDH1A1MEN1KMT2AP2RX7DRD2
SCHEMBL25937529 0.78 SIGMAR1 (0.47) ALDH1A1MEN1TSHRKMT2ASIGMAR1
SCHEMBL25937516 0.75 SIGMAR1 (0.47) ALDH1A1MEN1TSHRKMT2ASIGMAR1
SCHEMBL13245865 0.75 NOTUM (0.47) MEN1TSHRKMT2AP2RX7DRD2
SCHEMBL25937802 0.74 NOTUM (0.46) P2RX7DRD2DRD3NOTUMPDK2
SCHEMBL7919249 0.73 DPP4 (0.58) DPP4DPP8
SCHEMBL19981885 0.73 ALDH1A1 (0.51) ALDH1A1MEN1TSHRKMT2ASIGMAR1
SCHEMBL25313503 0.72 ALDH1A1 (0.59) ALDH1A1MEN1TSHRKMT2ASIGMAR1

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
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed