SCHEMBL19670625

SCHEMBL19670625

Cc1cc(-c2ccc3c(n2)N(C(O)Nc2nccc(C)n2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SCD O00767 1/20 0.32
▸ HRH4 Q9H3N8 2/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ USP30 Q70CQ3 3/20 0.31
▸ IDH1 O75874 2/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ KARS1 Q15046 1/20 0.30
▸ MAPK1 P28482 3/20 0.30
▸ CARM1 Q86X55 1/20 0.30
▸ PRMT6 Q96LA8 1/20 0.30
▸ PRMT8 Q9NR22 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
SCHEMBL19670481 0.88 KARS1 (0.41) HRH3TGFBR1KARS1MAPK1
SCHEMBL19670633 0.87 WNT3A (0.34) HRH3SCDMAP4K4MAPK1
SCHEMBL19706928 0.85 HRH3 (0.33) HRH3SCDMAP4K4USP30MAPK1
SCHEMBL19670538 0.85 ROCK1 (0.34) HRH3MAP4K4USP30MAPK1CARM1
SCHEMBL19706212 0.84 HRH3 (0.34) HRH3MAP4K4KARS1MAPK1CARM1
SCHEMBL19706138 0.84 WNT3A (0.33) HRH3TGFBR1MAPK1
SCHEMBL19670504 0.83 MAPK1 (0.32) HRH3USP30MAPK1
SCHEMBL19706215 0.82 MAP4K4 (0.34) MAP4K4USP30
SCHEMBL17778384 0.80 L3MBTL1 (0.35) MAP4K4USP30
SCHEMBL16754615 0.80 L3MBTL1 (0.35) MAP4K4USP30

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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