SCHEMBL6850100

SCHEMBL6850100

O=C1CN(CCN2CCCCC2)C(=S)[N]1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.40
DRD3 P35462 9/20 0.39
ACHE P22303 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
TERT O14746 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
PARP1 P09874 1/20 0.35
MPO P05164 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6853955 0.82 DRD2 (0.42) DRD2DRD3ACHEHRH3TERT
SCHEMBL4131464 0.80 ACHE (0.40) DRD2DRD3ACHEHRH3SIGMAR1
SCHEMBL6855118 0.72 HRH3 (0.42) ACHEHRH3PARP1
SCHEMBL13161 0.64 KMT2A (0.58) DRD2DRD3HRH3KMT2A
SCHEMBL23828671 0.64 HRH3 (0.69) HRH3TERTSIGMAR1KMT2A
SCHEMBL12826 0.64 HRH3 (0.69) HRH3TERTSIGMAR1KMT2A
SCHEMBL14447309 0.64 DRD2 (0.45) DRD2DRD3ACHEHRH3SIGMAR1
SCHEMBL5466977 0.64 HRH3 (0.69) HRH3TERTSIGMAR1KMT2A
SCHEMBL134912 0.64 HRH3 (0.69) HRH3TERTSIGMAR1KMT2A
SCHEMBL4786815 0.64 HRH3 (0.69) HRH3TERTSIGMAR1KMT2A

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
US-6784293-B1 SOLUTION AND SOLID-PHASE SYNTHESIS OF BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/ DIHYDROTHIOURACILS THE PROCTER & GAMBLE COMPANY 2004-08-31 US disclosed