SCHEMBL25822825

SCHEMBL25822825

COCCCCn1cc(C)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
NAMPT P43490 1/20 0.36
GBA1 P04062 1/20 0.36
DGAT1 O75907 5/20 0.35
SMPD1 P17405 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 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
SCHEMBL13382259 0.87 DPP4 (0.40) DPP4DRD2DRD4DRD3MEN1
SCHEMBL15976246 0.86 GBA1 (0.47) DPP4DRD2DRD4DRD3NAMPT
SCHEMBL15976247 0.86 GBA1 (0.47) DPP4DRD2DRD4DRD3NAMPT
SCHEMBL13469511 0.85 SMPD1 (0.44) DPP4DRD2DRD4DRD3GBA1
SCHEMBL15281111 0.84 CHRNA7 (0.38) DPP4DRD2DRD4DRD3DGAT1
SCHEMBL18850692 0.84 CHRNA7 (0.38) DPP4DRD2DRD4DRD3DGAT1
SCHEMBL17586038 0.84 CHRNA7 (0.38) DPP4DRD2DRD4DRD3DGAT1
SCHEMBL15223677 0.84 CHRNA7 (0.38) DPP4DRD2DRD4DRD3DGAT1
SCHEMBL15976248 0.80 GBA1 (0.39) DPP4DRD2DRD4DRD3GBA1
SCHEMBL16526395 0.79 SMPD1 (0.51) DRD2DRD4DRD3GBA1SMPD1

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