Sugi Predict

Sugi Predict / Compounds / SCHEMBL5715005

SCHEMBL5715005

SCHEMBL5715005

O=C(Oc1ccc(Oc2ccc(Cl)cn2)cc1)N1CCN(CCc2c[nH]cn2)CC1.O=C(Oc1ccc(Oc2ccc(Cl)cn2)cc1)N1CCN(CCc2ccc[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 13/20 0.39
▸ BCHE P06276 1/20 0.38
▸ TRPA1 O75762 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ FAAH O00519 1/20 0.35

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
SCHEMBL5714545 0.93 LIPE (0.44) LIPEBCHETRPA1HRH3
SCHEMBL5716329 0.92 LIPE (0.45) LIPEBCHETRPA1HRH3
SCHEMBL5714633 0.80 LIPE (0.63) LIPEBCHE
SCHEMBL5714070 0.80 THRB (0.52) LIPEBCHETRPA1
SCHEMBL5715648 0.79 LIPE (0.64) LIPEBCHE
SCHEMBL5715485 0.78 TRPV1 (0.41) LIPEBCHETRPA1FAAH
SCHEMBL5715168 0.77 LIPE (0.43) LIPEBCHETRPA1HRH3
SCHEMBL5714023 0.77 LIPE (0.44) LIPEBCHETRPA1HRH3
SCHEMBL5714913 0.77 LIPE (0.44) LIPEBCHEHRH3
SCHEMBL5714832 0.75 FAAH (0.48) LIPEBCHETRPA1FAAH

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
JP-2006527212-A — — 2006-11-30 — — JP claimed
EP-1636187-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 — — EP claimed
WO-2004111004-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 — — WO claimed