SCHEMBL6674263

SCHEMBL6674263

O=C(Oc1ccc(Oc2ccc(Cl)cn2)cc1)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 15/20 0.55
BCHE P06276 1/20 0.54
HRH3 Q9Y5N1 2/20 0.51
TRPA1 O75762 1/20 0.45
SCN7A Q01118 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN9A Q15858 1/20 0.44

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
SCHEMBL5650051 0.84 LIPE (0.72) LIPEBCHEHRH3KCNH2SCN9A
SCHEMBL5715413 0.83 SCN9A (0.54) LIPEBCHEHRH3TRPA1SCN9A
SCHEMBL27627299 0.83 ALDH1A1 (0.56) LIPETRPA1
SCHEMBL5647031 0.82 LIPE (0.81) LIPEBCHESCN7AKCNH2SCN9A
SCHEMBL5650331 0.81 TRPA1 (0.57) LIPEBCHETRPA1
Hydrochloric Acid SCHEMBL5647025 0.81 LIPE (0.79) LIPEBCHESCN7AKCNH2SCN9A
Hydrochloric Acid SCHEMBL5488736 0.81 ALDH1A1 (0.54) LIPETRPA1
SCHEMBL5649953 0.80 MGLL (0.56) LIPEBCHE
SCHEMBL5715274 0.79 ALDH1A1 (0.54) LIPEBCHETRPA1SCN9A
SCHEMBL5714121 0.78 PANK3 (0.50) LIPEBCHEHRH3TRPA1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed