SCHEMBL5633087

SCHEMBL5633087

NC1CCc2cc(CN3CCC(F)C3)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.46
HRH3 Q9Y5N1 3/20 0.43
PLAU P00749 1/20 0.41
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
LTA4H P09960 1/20 0.39
GRM2 Q14416 1/20 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
SCHEMBL5633241 0.92 OPRK1 (0.48) OPRK1HRH3PLAUDRD2DRD3
SCHEMBL4818097 0.86 DRD2 (0.48) OPRK1HRH3PLAUDRD2DRD3
SCHEMBL4776245 0.86 OPRK1 (0.53) OPRK1PLAUDRD2DRD3NFKB1
SCHEMBL5634216 0.86 HTT (0.49) OPRK1DRD2DRD3NFKB1THPO
SCHEMBL354877 0.83 OPRK1 (0.50) OPRK1HRH3PLAUDRD2DRD3
SCHEMBL354878 0.83 OPRK1 (0.50) OPRK1HRH3PLAUDRD2DRD3
SCHEMBL5633787 0.83 OPRK1 (0.50) OPRK1HRH3PLAUDRD2DRD3
SCHEMBL1725336 0.82 OPRK1 (0.49) OPRK1HRH3PLAUDRD2DRD3
SCHEMBL354963 0.82 OPRK1 (0.49) OPRK1HRH3PLAUDRD2DRD3
SCHEMBL354962 0.82 OPRK1 (0.49) OPRK1HRH3PLAUDRD2DRD3

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-7304065-B2 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed