SCHEMBL7656741

SCHEMBL7656741

OCC(CO)COCc1ccc(COCC(CO)CO)nc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL7657987 0.85 CA1 (0.39) CSF1RRAB9ACA1CA2CA7
SCHEMBL7650161 0.84 CA1 (0.35) NPC1POLBRAB9ACA1CA2
SCHEMBL7104666 0.82
SCHEMBL7655274 0.77 NPC1 (0.34) NPC1POLBRAB9A
SCHEMBL7105229 0.73
SCHEMBL7650762 0.72 NPC1 (0.33) NPC1POLBRAB9A
SCHEMBL7662403 0.72 KCNH2 (0.41) CA1CA2CA7CA9
SCHEMBL7654006 0.72 CA1 (0.30) CA1CA2CA7CA9
SCHEMBL1865158 0.71 CA1 (0.56) POLBCA1CA2CA7CA9
SCHEMBL12545895 0.70 HRH3 (0.42) NPC1RAB9A

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