SCHEMBL19670277

SCHEMBL19670277

Cc1cnc(NC(=O)N2c3nc(N4CC[C@H](N(C)C)C4)ccc3C3CCC32)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.37
▸ HRH4 Q9H3N8 2/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ MAP4K4 O95819 2/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ P2RX7 Q99572 2/20 0.35
▸ KIT P10721 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HBB P68871 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PRNP P04156 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
SCHEMBL19670276 0.86 JAK2 (0.40) MCHR1HRH4HRH3MAP4K4JAK1
SCHEMBL19670272 0.83 MCHR1 (0.37) MCHR1HRH4HRH3MAP4K4P2RX7
SCHEMBL19670280 0.83 MCHR1 (0.37) MCHR1HRH4HRH3MAP4K4P2RX7
SCHEMBL19670278 0.83 MCHR1 (0.37) MCHR1HRH4HRH3MAP4K4P2RX7
SCHEMBL19670447 0.82 PDE10A (0.39) MCHR1HRH4HRH3MAP4K4P2RX7
SCHEMBL17618532 0.82 PRNP (0.39) MCHR1HRH4HRH3MAP4K4JAK1
SCHEMBL19670269 0.81 MCHR1 (0.38) MCHR1HRH4HRH3MAP4K4P2RX7
SCHEMBL19364892 0.80 MAP4K4 (0.38) MAP4K4SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL20633224 0.78 MCHR1 (0.38) MCHR1HRH4HRH3MAP4K4JAK1
SCHEMBL19706196 0.76 MCHR1 (0.39) MCHR1HRH4HRH3MAP4K4JAK1

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
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