SCHEMBL8555717

SCHEMBL8555717

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.42
DRD3 P35462 12/20 0.42
DRD2 P14416 11/20 0.42
NR3C1 P04150 3/20 0.37
ACHE P22303 1/20 0.37
TSHR P16473 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
POLB P06746 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
SCHEMBL8553262 0.82 DRD4 (0.42) DRD4DRD3DRD2NR3C1ACHE
SCHEMBL8555714 0.76 NR3C1 (0.45) DRD4DRD3DRD2NR3C1ACHE
SCHEMBL8554183 0.75 TSHR (0.58) DRD4DRD3DRD2ACHETSHR
SCHEMBL9293515 0.69 DRD4 (0.46) DRD4DRD3DRD2ACHE
SCHEMBL7468310 0.69 ACHE (0.49) DRD4DRD3DRD2ACHE
SCHEMBL8184218 0.63 ACHE (0.45) DRD4DRD2ACHE
SCHEMBL20413737 0.63 DRD4 (0.71) DRD4DRD3DRD2ACHE
SCHEMBL4031211 0.63 DRD4 (0.67) DRD4DRD3DRD2ACHEPOLB
SCHEMBL9437368 0.62 BACE1 (0.41) ACHE
SCHEMBL9080065 0.62 ACHE (0.51) ACHE

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