SCHEMBL2891010

SCHEMBL2891010

CC(=O)On1ccc(CCN)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTOR P42345 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
AOC3 Q16853 1/20 0.31
HRH1 P35367 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
SCHEMBL27872779 0.81 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL3843550 0.68 MAP3K12 (0.34)
SCHEMBL8772961 0.68 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12569409 0.67
SCHEMBL27934670 0.67 NPC1 (0.38)
SCHEMBL12986494 0.66 NPC1 (0.39) CYP2C19
SCHEMBL24618609 0.65 KCNH2 (0.38) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL24618266 0.63 CYP2C9 (0.33) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL24618533 0.62 CYP2C9 (0.36) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL24618269 0.62 CYP4F2 (0.42) CYP4F2CYP4A11CYP2C9TSHRCYP2C19

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-2259665-A1 Solution for surface treatment MEC COMPANY LTD. (JP) 2010-12-08 EP disclosed