SCHEMBL7103658

SCHEMBL7103658

OCC(O)C(CO)NCc1cnc(CNC(CO)C(O)CO)cn1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 8/20 0.43
▸ TRPV3 Q8NET8 7/20 0.35
▸ MTAP Q13126 4/20 0.34

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
SCHEMBL7075461 0.92 PNP (0.39) PNPTRPV3MTAP
SCHEMBL7072329 0.92 PNP (0.39) PNPTRPV3MTAP
SCHEMBL7071084 0.92 PNP (0.39) PNPTRPV3MTAP
SCHEMBL7070778 0.92 PNP (0.39) PNPTRPV3MTAP
SCHEMBL7652028 0.83 PNP (0.39) PNPTRPV3
SCHEMBL7108751 0.81 PNP (0.39) PNPTRPV3
SCHEMBL7659507 0.78 TRPV3 (0.52) PNPTRPV3
SCHEMBL7107801 0.75 PNP (0.38) PNPTRPV3MTAP
SCHEMBL7655174 0.74 PNP (0.39) PNPTRPV3MTAP
SCHEMBL7105047 0.73 PNP (0.43) PNP

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
Send feedback