SCHEMBL7104690

SCHEMBL7104690

CN(CC(O)C(O)CO)C(=O)c1cncc(C(=O)N(C)CC(O)C(O)CO)n1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 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
SCHEMBL7109867 0.86 PDE10A (0.36) CNR1
SCHEMBL7659676 0.84 CYP1A2 (0.37) CNR1
SCHEMBL7107240 0.84 MEN1 (0.35) CNR1
SCHEMBL7104663 0.84 CNR1 (0.32) CNR1
SCHEMBL7662443 0.81 KMT2A (0.36)
SCHEMBL7654086 0.78 PNP (0.32)
SCHEMBL7658827 0.77 P4HTM (0.36)
SCHEMBL7107359 0.75 HDAC4 (0.39) CNR1
SCHEMBL7110077 0.74 PNP (0.32)
SCHEMBL7108649 0.73 TSPO (0.30)

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