SCHEMBL7108751

SCHEMBL7108751

OCC(O)C(CO)NCc1cncc(CNC(CO)C(O)CO)n1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 4/20 0.39
▸ TRPV3 Q8NET8 15/20 0.36

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
SCHEMBL7659507 0.82 TRPV3 (0.52) PNPTRPV3
SCHEMBL7103658 0.81 PNP (0.43) PNPTRPV3
SCHEMBL7655174 0.79 PNP (0.39) PNPTRPV3
SCHEMBL7110102 0.77 TRPV3 (0.34) PNPTRPV3
SCHEMBL7108663 0.75 PNP (0.39) PNP
SCHEMBL7075461 0.75 PNP (0.39) PNPTRPV3
SCHEMBL7070778 0.75 PNP (0.39) PNPTRPV3
SCHEMBL7072329 0.75 PNP (0.39) PNPTRPV3
SCHEMBL7071084 0.75 PNP (0.39) PNPTRPV3
SCHEMBL7109077 0.71 LMNA (0.31) —

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-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 — — EP claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 — — US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 — — US disclosed
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