SCHEMBL5633787

SCHEMBL5633787

NC1CCc2cc(CN3CCC(O)CC3)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.50
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.43
CHEK1 O14757 2/20 0.42
ACHE P22303 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PLAU P00749 1/20 0.41

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
SCHEMBL5634216 0.92 HTT (0.49) OPRK1ALDH1A1KDM4EDRD2DRD3
SCHEMBL4776245 0.90 OPRK1 (0.53) OPRK1ALDH1A1KDM4EDRD2DRD3
SCHEMBL5633241 0.88 OPRK1 (0.48) OPRK1ALDH1A1DRD2DRD3MAPT
SCHEMBL354877 0.87 OPRK1 (0.50) OPRK1ALDH1A1POLBDRD2DRD3
SCHEMBL354878 0.87 OPRK1 (0.50) OPRK1ALDH1A1POLBDRD2DRD3
SCHEMBL1725336 0.86 OPRK1 (0.49) OPRK1ALDH1A1KDM4EPOLBDRD2
SCHEMBL354963 0.86 OPRK1 (0.49) OPRK1ALDH1A1KDM4EPOLBDRD2
SCHEMBL354962 0.86 OPRK1 (0.49) OPRK1ALDH1A1KDM4EPOLBDRD2
SCHEMBL5634205 0.85 LMNA (0.49) OPRK1DRD2DRD3PLAU
SCHEMBL5632913 0.85 HTT (0.59) OPRK1ALDH1A1KDM4EPOLBDRD2

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