SCHEMBL5218229

SCHEMBL5218229

O=C(NCC12CCCC(CCC1)C2)c1cc(-c2nccnc2N2CCC(C(=O)O)CC2)ccc1Cl.[CH2]

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.54
NTRK1 P04629 4/20 0.41

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
SCHEMBL4883360 0.90 P2RX7 (0.57) P2RX7
SCHEMBL5221250 0.80 P2RX7 (0.56) P2RX7
SCHEMBL4881090 0.80 P2RX7 (0.70) P2RX7
SCHEMBL8071731 0.76 P2RX7 (0.65) P2RX7
SCHEMBL4883520 0.75 P2RX7 (0.53) P2RX7
SCHEMBL5118323 0.75 P2RX7 (0.75) P2RX7
SCHEMBL7517360 0.74 P2RX7 (0.72) P2RX7
SCHEMBL7690936 0.73 P2RX7 (0.73) P2RX7
SCHEMBL4095273 0.73 P2RX7 (0.56) P2RX7
SCHEMBL8080894 0.73 P2RX7 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786786-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-05-23 EP disclosed
WO-2006025783-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-09 WO disclosed