SCHEMBL1850331

SCHEMBL1850331

CN1C(=O)CC[C@H]1C(=O)O.CN1C(=O)CC[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.47
P2RX7 Q99572 18/20 0.45

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
SCHEMBL1587617 1.00 ACE (0.47) ACEP2RX7
SCHEMBL159149 1.00 ACE (0.47) ACEP2RX7
SCHEMBL647325 1.00 ACE (0.47) ACEP2RX7
Ammonia Solution, Strong SCHEMBL11295703 0.98 ACE (0.46) ACEP2RX7
SCHEMBL16339447 0.88 P2RX7 (0.44) ACEP2RX7
SCHEMBL30813130 0.88 P2RX7 (0.44) ACEP2RX7
SCHEMBL16339048 0.88 P2RX7 (0.44) ACEP2RX7
SCHEMBL18212792 0.86 ACE (0.44) ACEP2RX7
SCHEMBL13949148 0.83 P2RX7 (0.45) P2RX7
SCHEMBL18101128 0.83 P2RX7 (0.45) P2RX7

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-2323735-A1 SUBSTITUTED PYRIDOXINE-LACTAM CARBOXYLATE SALTS Alcobra Ltd. (IL) 2011-05-25 EP disclosed