SCHEMBL8555714

SCHEMBL8555714

Cc1nn(C2CCN(Cc3ccccc3)CC2)c(NC(=O)OC(C)(C)C)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.45
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD4 P21917 7/20 0.42
DRD3 P35462 7/20 0.42
DRD2 P14416 6/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 1/20 0.42
MAOB P27338 1/20 0.42
KCNA3 P22001 1/20 0.42
P2RX7 Q99572 1/20 0.41
NSD2 O96028 1/20 0.41
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40

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
SCHEMBL8553262 0.83 DRD4 (0.42) NR3C1KMT2ADRD4DRD3DRD2
SCHEMBL8557778 0.82 CTSK (0.36) NR3C1DRD2KCNA3P2RX7
SCHEMBL8555742 0.79 PLAT (0.36) NR3C1KCNA3
SCHEMBL8556418 0.78 NR3C1 (0.49) NR3C1ACHEP2RX7
SCHEMBL8554183 0.76 TSHR (0.58) DRD4DRD3DRD2BCHEACHE
SCHEMBL8555717 0.76 DRD4 (0.42) NR3C1DRD4DRD3DRD2ACHE
SCHEMBL915402 0.71 KMT2A (0.65) KMT2AL3MBTL1DRD4DRD3DRD2
SCHEMBL3635817 0.70 KMT2A (0.56) KMT2AL3MBTL1DRD4DRD3DRD2
SCHEMBL30219688 0.70 BCHE (0.58) KMT2AL3MBTL1DRD4DRD3DRD2
SCHEMBL3892168 0.70 KMT2A (0.61) KMT2AL3MBTL1DRD4DRD3DRD2

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
EP-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed