SCHEMBL19364862

SCHEMBL19364862

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)NCCN1CCOCC1)C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.45
▸ CNR2 P34972 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ DYRK1A Q13627 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ CTSK P43235 1/20 0.42
▸ TRPV4 Q9HBA0 4/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ERN1 O75460 1/20 0.41

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
SCHEMBL19365835 0.84 CNR2 (0.53) CNR2TRPV4
SCHEMBL19706248 0.83 NAMPT (0.40) LMNA
SCHEMBL19365828 0.83 CA12 (0.46) CNR2KCNH2CTSKTRPV4
SCHEMBL19706079 0.81 CA12 (0.40) KCNH2CTSK
SCHEMBL19365630 0.80 CTSK (0.38) KCNH2CTSK
SCHEMBL19365391 0.79 DGAT2 (0.42) —
SCHEMBL19706158 0.79 NAMPT (0.42) LMNA
SCHEMBL19706119 0.78 SMN1; SMN2 (0.46) CNR2KCNH2CTSKTRPV4TSHR
SCHEMBL19365571 0.77 MCHR1 (0.42) LMNA
SCHEMBL19706137 0.77 MCHR1 (0.43) LMNA

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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