SCHEMBL25937802

SCHEMBL25937802

Cc1nnc2n1CCN(C(=O)CN)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
P2RX7 Q99572 1/20 0.44
KCNH2 Q12809 1/20 0.42
TACR3 P29371 1/20 0.40
DPP4 P27487 10/20 0.39
DPP8 Q6V1X1 6/20 0.39
DPP9 Q86TI2 1/20 0.38
POLB P06746 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PARP1 P09874 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
PDK2 Q15119 1/20 0.37

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
SCHEMBL13245865 0.86 NOTUM (0.47) NOTUMP2RX7TACR3DPP4DPP8
SCHEMBL24629903 0.82 P2RX7 (0.47) NOTUMP2RX7KCNH2TACR3POLB
SCHEMBL25430234 0.81 NOTUM (0.43) NOTUMP2RX7TACR3DPP4DPP8
SCHEMBL17232814 0.80 P2RX7 (0.48) NOTUMP2RX7KCNH2TACR3POLB
SCHEMBL16219061 0.76 P2RX7 (0.45) NOTUMP2RX7TACR3DPP4DPP8
SCHEMBL13223505 0.76 PDK2 (0.49) NOTUMP2RX7TACR3POLBDRD2
Trifluoroacetic Acid SCHEMBL25427998 0.75 DPP4 (0.58) DPP4DPP8DPP9DPP7
SCHEMBL17509119 0.74 DPP4 (0.53) NOTUMP2RX7TACR3DPP4DPP8
SCHEMBL17509130 0.73 NAAA (0.47) NOTUMP2RX7TACR3DPP4DPP8
SCHEMBL10095021 0.73 NR1H2 (0.47) NOTUMP2RX7POLBDRD2DRD3

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