SCHEMBL19670276

SCHEMBL19670276

CN(C)[C@H]1CCN(c2ccc3c(n2)N(C(=O)Nc2nccs2)C2CCC32)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ HRH4 Q9H3N8 3/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.39
▸ MAP4K4 O95819 2/20 0.37
▸ MCHR1 Q99705 3/20 0.36
▸ PDE10A Q9Y233 3/20 0.35
▸ P2RX7 Q99572 3/20 0.35
▸ SCN8A Q9UQD0 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19670277 0.86 MCHR1 (0.37) JAK1HRH4HRH3MAP4K4MCHR1
SCHEMBL19670447 0.83 PDE10A (0.39) HRH4HRH3MAP4K4MCHR1PDE10A
SCHEMBL17618527 0.82 JAK2 (0.40) JAK2JAK1JAK3HRH4HRH3
SCHEMBL19670280 0.82 MCHR1 (0.37) HRH4HRH3MAP4K4MCHR1P2RX7
SCHEMBL19670269 0.81 MCHR1 (0.38) HRH4HRH3MAP4K4MCHR1PDE10A
SCHEMBL19670272 0.79 MCHR1 (0.37) HRH4HRH3MAP4K4MCHR1P2RX7
SCHEMBL19365447 0.78 MAP4K4 (0.39) MAP4K4MEN1LMNAGAAKMT2A
SCHEMBL19670278 0.78 MCHR1 (0.37) HRH4HRH3MAP4K4MCHR1P2RX7
SCHEMBL20633442 0.75 MAP4K4 (0.39) JAK2JAK1JAK3HRH4HRH3
SCHEMBL17618532 0.68 PRNP (0.39) JAK1HRH4HRH3MAP4K4MCHR1

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
Send feedback