SCHEMBL5227499

SCHEMBL5227499

CN(C)Cc1cccc(-c2c(C3CCCCC3)c3sc(OC(=O)O)cc3n2CC(=O)N(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
AVPR1B P47901 2/20 0.33
CYP2D6 P10635 2/20 0.33
HRH1 P35367 2/20 0.33
KCNH2 Q12809 2/20 0.33
HTR7 P34969 1/20 0.32
AOC3 Q16853 1/20 0.32
MAPT P10636 1/20 0.32
EGFR P00533 1/20 0.32
SLC2A1 P11166 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL5233817 0.90 CYP2D6 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5228717 0.89 ALDH1A1 (0.38) TSPOCYP2D6HRH1KCNH2MAPT
SCHEMBL5231037 0.89 GRIN2B (0.38) TSPOCYP2D6HRH1KCNH2AOC3
SCHEMBL2989758 0.88 AVPR1B (0.34) TSPOGABRA1GABRG2GABRB3GABRA5
SCHEMBL5229499 0.87 CYP2D6 (0.34) CYP2D6HRH1KCNH2MAPTGRIN1
SCHEMBL5232300 0.84 CYP2D6 (0.33) TSPOCYP2D6HRH1KCNH2MAPT
SCHEMBL5231760 0.83 SCN9A (0.37) CYP2D6HRH1KCNH2MAPTGRIN1
SCHEMBL5231299 0.83 CYP2D6 (0.33) CYP2D6HRH1KCNH2MAPTGRIN1
SCHEMBL5233042 0.82 CYP2D6 (0.39) CYP2D6HRH1KCNH2GRIN1GRIN2B
SCHEMBL5229100 0.81 PDE5A (0.39) CYP2D6HRH1KCNH2GRIN1GRIN2B

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
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed