SCHEMBL7104649

SCHEMBL7104649

O=C(NC(CO)C(O)CO)c1cnc(C(=O)NC(CO)C(O)CO)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.44
CNR2 P34972 2/20 0.40
MME P08473 1/20 0.36
CCR1 P32246 2/20 0.36
PSMB5 P28074 3/20 0.35
LONP1 P36776 3/20 0.35
PSMB11 A5LHX3 2/20 0.35
PSMA7 O14818 2/20 0.35
PSMB1 P20618 2/20 0.35
PSMA1 P25786 2/20 0.35
PSMA2 P25787 2/20 0.35
PSMA3 P25788 2/20 0.35
PSMA4 P25789 2/20 0.35
PSMB8 P28062 2/20 0.35
PSMB9 P28065 2/20 0.35
PSMA5 P28066 2/20 0.35
PSMB4 P28070 2/20 0.35
PSMB6 P28072 2/20 0.35
PSMB10 P40306 2/20 0.35
PSMB3 P49720 2/20 0.35

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
SCHEMBL7109870 0.91 CNR1 (0.44) CNR1CNR2CCR1PSMB5LONP1
SCHEMBL7655289 0.84 ALDH1A1 (0.44) CNR1CNR2MME
SCHEMBL7109282 0.83 CNR1 (0.42) CNR1CNR2CCR1PSMB5LONP1
SCHEMBL7663610 0.79 P2RX7 (0.44) CNR1
SCHEMBL8060452 0.78 ALDH1A1 (0.42) CNR1MME
SCHEMBL7105347 0.77 CNR1 (0.46) CNR1CNR2MMEAKR1B1
SCHEMBL7654698 0.76 KDM4E (0.44) CCR1
SCHEMBL7110167 0.75 ALDH1A1 (0.38) CNR2
SCHEMBL18130879 0.74 CNR2 (0.55) CNR1CNR2
SCHEMBL18130962 0.74 CNR2 (0.55) CNR1CNR2

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 5 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
EP-1001944-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003844-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO 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