SCHEMBL14401745

SCHEMBL14401745

CCC[C@@H]1C/C(=N\O)c2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
HSD17B2 P37059 1/20 0.33
GSK3B P49841 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL1735757 0.90 AR (0.36) ARGSK3BKMT2AMEN1PDE2A
SCHEMBL12066676 0.90 AR (0.36) ARGSK3BKMT2AMEN1PDE2A
SCHEMBL1735760 0.90 AR (0.36) ARGSK3BKMT2AMEN1PDE2A
SCHEMBL1735758 0.90 AR (0.36) ARGSK3BKMT2AMEN1PDE2A
SCHEMBL13478819 0.78 AR (0.37) ARKMT2A
SCHEMBL1735451 0.75 AR (0.35) ARKMT2A
SCHEMBL1735448 0.75 AR (0.35) ARKMT2A
SCHEMBL1735695 0.75 AR (0.35) ARKMT2A
SCHEMBL1735462 0.70 AR (0.32) ARKMT2A
SCHEMBL12156896 0.69 AR (0.38) ARKMT2A

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
WO-2007116922-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 WO disclosed