SCHEMBL8554183

SCHEMBL8554183

Cc1nn(C2CCN(Cc3ccccc3)CC2)c(N)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
DRD4 P21917 12/20 0.52
DRD3 P35462 11/20 0.52
DRD2 P14416 10/20 0.52
ACHE P22303 5/20 0.47
POLB P06746 1/20 0.45
BCHE P06276 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL31194597 0.78 TSHR (0.42) TSHRPOLB
SCHEMBL8553968 0.77 ALOX15 (0.48) TSHRPOLBHRH3
SCHEMBL20413737 0.77 DRD4 (0.71) DRD4DRD3DRD2ACHE
SCHEMBL8555714 0.76 NR3C1 (0.45) DRD4DRD3DRD2ACHEBCHE
SCHEMBL8553262 0.75 DRD4 (0.42) DRD4DRD3DRD2ACHEBCHE
SCHEMBL8555717 0.75 DRD4 (0.42) TSHRDRD4DRD3DRD2ACHE
SCHEMBL31194470 0.75 HPGD (0.46) TSHRPOLB
SCHEMBL7303767 0.74 TSHR (1.00) TSHRPOLB
SCHEMBL4498872 0.74 HPGD (0.51) TSHRPOLB
SCHEMBL3722546 0.72 DRD4 (0.69) DRD4DRD3DRD2ACHEPOLB

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