SCHEMBL23735210

SCHEMBL23735210

CC(C)(O)c1cc2c(c(OC3CCCC3)c1)CNCC2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.37
HTR6 P50406 3/20 0.34
PDE4B Q07343 3/20 0.33
PNMT P11086 2/20 0.33
CFD P00746 1/20 0.32
F11 P03951 1/20 0.32
KLKB1 P03952 1/20 0.32
PDE4A P27815 1/20 0.30
KCNH2 Q12809 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL19684602 0.75 PNMT (0.41) HTR6PNMTCFDF11KLKB1
SCHEMBL19710965 0.73 PNMT (0.39) HTR6PNMTCFDF11KLKB1
SCHEMBL19684605 0.73 PNMT (0.39) HTR6PNMTCFDF11KLKB1
Ammonia Solution, Strong SCHEMBL7995011 0.65 PDE4A (0.52) PDE4BPDE4A
SCHEMBL19684653 0.62 HRH3 (0.38) PRMT5PNMTHRH3
SCHEMBL24773958 0.62 HTR6 (0.38) HTR6PNMTCFDF11KLKB1
SCHEMBL19678873 0.62 PNMT (0.42) PNMT
SCHEMBL24473604 0.62 PNMT (0.42) PNMT
SCHEMBL3882991 0.62 PNMT (0.48) HTR6PNMTKCNH2
SCHEMBL19684588 0.61 PNMT (0.41) PRMT5HTR6PNMT

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-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed