SCHEMBL3902884

SCHEMBL3902884

CN(C)C(=O)C1CCNCC1.[Pd]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
TSHR P16473 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRA6 Q16445 2/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
PMP22 Q01453 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50
GLI1 P08151 1/20 0.47
CYP2D6 P10635 2/20 0.39

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
SCHEMBL40096 0.98 GABRA1 (0.52) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL27633583 0.95 GABRA1 (0.50) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL1018967 0.95 GABRA1 (0.50) GABRA1TSHRGABRG2GABRB3GABRA5
Trifluoroacetic Acid SCHEMBL17372956 0.85 GABRP (0.45) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL2146012 0.84 GABRA5 (0.43) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL2672481 0.84 GABRA5 (0.43) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL2148728 0.84 GABRA5 (0.43) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL2146778 0.83 GABRA5 (0.41) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL2146165 0.83 GABRA5 (0.41) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL1464969 0.83 GABRA5 (0.41) GABRA1TSHRGABRG2GABRB3GABRA5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO disclosed