SCHEMBL7652028

SCHEMBL7652028

OCC(O)C(CO)NCc1ccc(CNC(CO)C(O)CO)nc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 4/20 0.39
▸ TRPV3 Q8NET8 12/20 0.35
▸ CXCR4 P61073 1/20 0.33
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL7103658 0.83 PNP (0.43) PNPTRPV3
SCHEMBL7663658 0.80 CXCR4 (0.35) PNPTRPV3CXCR4PDCD1CD274
SCHEMBL7072329 0.76 PNP (0.39) PNPTRPV3
SCHEMBL7070778 0.76 PNP (0.39) PNPTRPV3
SCHEMBL7075461 0.76 PNP (0.39) PNPTRPV3
SCHEMBL7071084 0.76 PNP (0.39) PNPTRPV3
SCHEMBL7654878 0.75 CXCR4 (0.41) PNPCXCR4PDCD1CD274
SCHEMBL7108751 0.73 PNP (0.39) PNPTRPV3
SCHEMBL7659507 0.73 TRPV3 (0.52) PNPTRPV3
SCHEMBL7655174 0.73 PNP (0.39) PNPTRPV3

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
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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