SCHEMBL8553262

SCHEMBL8553262

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.42
DRD3 P35462 7/20 0.42
DRD2 P14416 6/20 0.42
NR3C1 P04150 4/20 0.41
ACHE P22303 3/20 0.41
BCHE P06276 1/20 0.41
P2RX7 Q99572 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8555714 0.83 NR3C1 (0.45) DRD4DRD3DRD2NR3C1ACHE
SCHEMBL8555717 0.82 DRD4 (0.42) DRD4DRD3DRD2NR3C1ACHE
SCHEMBL8554183 0.75 TSHR (0.58) DRD4DRD3DRD2ACHEBCHE
SCHEMBL803672 0.70 SIGMAR1 (0.59) DRD2ACHEBCHE
SCHEMBL8556418 0.68 NR3C1 (0.49) NR3C1ACHEP2RX7SMN1; SMN2
SCHEMBL2494437 0.67 OPRM1 (0.50) DRD2ACHEBCHE
SCHEMBL3964744 0.67 MAOB (0.52) ACHEBCHEKMT2A
SCHEMBL2050353 0.67 MEN1 (0.57) ACHEBCHEKMT2A
SCHEMBL4512351 0.67 OPRM1 (0.50) ACHESMN1; SMN2KMT2A
SCHEMBL8052851 0.66 CHRM4 (0.55) ACHEBCHEKMT2A

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