SCHEMBL4085261

SCHEMBL4085261

CC(C=O)c1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.69

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
SCHEMBL5553840 0.82 P2RX7 (0.81) P2RX7
SCHEMBL5549317 0.82 P2RX7 (1.00) P2RX7
SCHEMBL5549342 0.82 P2RX7 (1.00) P2RX7
Hydrochloric Acid SCHEMBL5549341 0.81 P2RX7 (0.98) P2RX7
Hydrochloric Acid SCHEMBL5553877 0.81 P2RX7 (0.98) P2RX7
SCHEMBL4129731 0.81 P2RX7 (0.73) P2RX7
SCHEMBL7571588 0.80 P2RX7 (1.00) P2RX7
SCHEMBL7555635 0.80 P2RX7 (0.72) P2RX7
SCHEMBL6574267 0.79 P2RX7 (1.00) P2RX7
SCHEMBL5553045 0.79 P2RX7 (0.75) 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-2059497-A1 PROCESS FOR PREPARING N-METHYLADAMANTYL DERIVATIVES BY A PALLADIUM CATALYSED COUPLING REACTION FOLLOWED BY REDUCTIVE AMINATION AstraZeneca AB (SE) 2009-05-20 EP disclosed
WO-2008030160-A1 PROCESS FOR PREPARING N-METHYLADAMANTYL DERIVATIVES BY A PALLADIUM CATALYSED COUPLING REACTION FOLLOWED BY REDUCTIVE AMINATION ASTRAZENECA AB (SE) 2008-03-13 WO disclosed