SCHEMBL7106764

SCHEMBL7106764

O=C(NC(CO)CO)c1cnc(C(=O)NC(CO)CO)cn1.O=C(NC(CO)CO)c1cncc(C(=O)NC(CO)CO)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.46
CNR2 P34972 4/20 0.41
MME P08473 1/20 0.38
AKR1B1 P15121 1/20 0.37
S1PR3 Q99500 1/20 0.36
SCN9A Q15858 2/20 0.36
MAP2K1 Q02750 1/20 0.36
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 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
SCHEMBL7108034 0.93 CNR1 (0.44) CNR1CNR2MMEAKR1B1S1PR3
SCHEMBL7105347 0.89 CNR1 (0.46) CNR1CNR2MMEAKR1B1SCN9A
SCHEMBL7109870 0.81 CNR1 (0.44) CNR1CNR2AKR1B1S1PR3
SCHEMBL7109322 0.76 SMO (0.39) CNR1CNR2MMEMAP2K1
SCHEMBL7109193 0.76 ICAM1 (0.40) CNR2MAP2K1
SCHEMBL7103718 0.76 CNR1 (0.52) CNR1
SCHEMBL7107812 0.75 POLB (0.47) CNR1CNR2SCN9A
SCHEMBL7104658 0.75 SMN1; SMN2 (0.35) CNR1
SCHEMBL7105213 0.73 CNR2 (0.39) CNR1CNR2
SCHEMBL7109282 0.73 CNR1 (0.42) CNR1CNR2AKR1B1S1PR3

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 1 patent. 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