SCHEMBL11517581

SCHEMBL11517581

CC(C)NC(=O)N1CCc2[nH]cnc2C1c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.52
KDM4E B2RXH2 2/20 0.45
TRPM8 Q7Z2W7 5/20 0.42
LHCGR P22888 1/20 0.40
PREP P48147 2/20 0.37
FAP Q12884 1/20 0.37
BLM P54132 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL11516529 0.88 AOC3 (0.51) AOC3TRPM8
SCHEMBL11517524 0.87 TRPM8 (0.45) AOC3TRPM8LHCGRPREPFAP
SCHEMBL11516665 0.81 MAPT (0.45) AOC3KDM4E
SCHEMBL11517973 0.81 AOC3 (0.46) AOC3TRPM8
SCHEMBL11519430 0.79 AOC3 (0.44) AOC3KDM4ETRPM8CYP2D6TSHR
SCHEMBL11514019 0.78 AOC3 (0.43) AOC3TRPM8
SCHEMBL11515027 0.77 AOC3 (0.47) AOC3KDM4ETRPM8LHCGR
SCHEMBL11516190 0.77 AOC3 (0.45) AOC3KDM4ETRPM8LMNA
SCHEMBL11516578 0.76 AOC3 (0.58) AOC3TRPM8
SCHEMBL11515667 0.74 AOC3 (0.46) AOC3TRPM8

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-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed