SCHEMBL7556103

SCHEMBL7556103

NC1CCCN(CCc2ccc(Cl)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)C1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.59

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
SCHEMBL7663091 0.95 P2RX7 (0.61) P2RX7
SCHEMBL7669060 0.91 P2RX7 (0.69) P2RX7
SCHEMBL7528044 0.89 P2RX7 (0.63) P2RX7
SCHEMBL7656080 0.85 P2RX7 (0.71) P2RX7
SCHEMBL30341704 0.85 P2RX7 (0.71) P2RX7
Hydrochloric Acid SCHEMBL29453510 0.84 P2RX7 (0.70) P2RX7
SCHEMBL7559417 0.82 P2RX7 (0.82) P2RX7
Hydrochloric Acid SCHEMBL7659490 0.81 P2RX7 (0.80) P2RX7
SCHEMBL7658517 0.81 P2RX7 (0.77) P2RX7
SCHEMBL4129972 0.80 P2RX7 (0.74) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 US claimed
JP-2002541249-A 2002-12-03 JP claimed
EP-1171432-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-01-16 EP claimed
WO-2000061569-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2000-10-19 WO claimed
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 US disclosed