SCHEMBL3662997

SCHEMBL3662997

NC(=O)c1[c]cn(-c2cc(F)cc(F)c2)n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL15520668 0.74 HDAC1 (0.34) PARP1
SCHEMBL3626705 0.72 NOTUM (0.37)
SCHEMBL15090773 0.69 SCN9A (0.46) PARP1
SCHEMBL2887289 0.66
SCHEMBL15048583 0.66 ALKBH2 (0.46)
SCHEMBL27853985 0.66 NPC1 (0.46) PARP1
SCHEMBL15520768 0.65 LMNA (0.40)
SCHEMBL15520701 0.64 L3MBTL1 (0.50) PARP1
SCHEMBL16612728 0.62 NR3C2 (0.43) PARP1
SCHEMBL15520585 0.62 CACNA1G (0.40)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP claimed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO claimed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP disclosed