SCHEMBL6617080

SCHEMBL6617080

CNCCC(C)Nc1ccc2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)c(Cl)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.55

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
SCHEMBL5769121 0.81 P2RX7 (0.56) P2RX7
SCHEMBL13958636 0.80 P2RX7 (0.58) P2RX7
SCHEMBL4896407 0.80 P2RX7 (0.64) P2RX7
SCHEMBL4508087 0.80 P2RX7 (0.61) P2RX7
Hydrochloric Acid SCHEMBL4493149 0.80 P2RX7 (0.57) P2RX7
SCHEMBL4511013 0.79 P2RX7 (0.66) P2RX7
SCHEMBL4497262 0.79 P2RX7 (0.68) P2RX7
Hydrochloric Acid SCHEMBL4511697 0.79 P2RX7 (0.56) P2RX7
SCHEMBL4504938 0.78 P2RX7 (0.56) P2RX7
SCHEMBL4508282 0.77 P2RX7 (0.65) 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-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP disclosed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO disclosed