SCHEMBL7106463

SCHEMBL7106463

OCC(CO)CNCc1cncc(CNCC(CO)CO)n1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.30

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
SCHEMBL7108772 0.83 PNP (0.38) PNP
SCHEMBL7108663 0.81 PNP (0.39) PNP
SCHEMBL7663595 0.81 TRPV3 (0.44) PNPTRPV3
SCHEMBL7104789 0.80 PNP (0.41) PNP
SCHEMBL7663573 0.77 PNP (0.36) PNP
SCHEMBL7109310 0.74 VSIR (0.38) —
SCHEMBL7110102 0.72 TRPV3 (0.34) PNPTRPV3
SCHEMBL7662068 0.72 CXCR4 (0.43) PNP
SCHEMBL7108751 0.67 PNP (0.39) PNPTRPV3
SCHEMBL7105229 0.67 — —

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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