SCHEMBL7106680

SCHEMBL7106680

CN(CC(CO)CO)C(=O)c1cnc(C(=O)N(C)CC(CO)CO)cn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PNP P00491 1/20 0.33
CNR1 P21554 1/20 0.33
SCN9A Q15858 1/20 0.30
SCN10A Q9Y5Y9 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
SCHEMBL7655871 0.84 P4HTM (0.38) KMT2APNPSCN9ASCN10A
SCHEMBL7106490 0.84 MEN1 (0.36) MEN1KMT2ACNR1
SCHEMBL7104663 0.83 CNR1 (0.32) CNR1
SCHEMBL7107240 0.83 MEN1 (0.35) MEN1KMT2ACNR1
SCHEMBL7109261 0.81 MLYCD (0.31)
SCHEMBL7655284 0.79 CYP1A2 (0.39) MEN1KMT2ACNR1
SCHEMBL7654546 0.76 KMT2A (0.38) MEN1KMT2A
SCHEMBL7108522 0.76 SMO (0.40) MEN1KMT2ACNR1
SCHEMBL7103531 0.74 MEN1 (0.33) MEN1KMT2APNP
SCHEMBL7103540 0.73 MEN1 (0.34) MEN1KMT2ACNR1

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