SCHEMBL7571529

SCHEMBL7571529

O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 1.00

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
SCHEMBL6362496 0.89 P2RX7 (1.00) P2RX7
SCHEMBL7570164 0.87 P2RX7 (0.77) P2RX7
SCHEMBL7571375 0.86 P2RX7 (1.00) P2RX7
SCHEMBL7571956 0.84 P2RX7 (1.00) P2RX7
SCHEMBL7572613 0.84 P2RX7 (0.72) P2RX7
SCHEMBL8381564 0.84 P2RX7 (0.72) P2RX7
SCHEMBL7571588 0.83 P2RX7 (1.00) P2RX7
SCHEMBL7571523 0.83 P2RX7 (1.00) P2RX7
SCHEMBL7570190 0.83 P2RX7 (1.00) P2RX7
SCHEMBL14160432 0.83 P2RX7 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed
CN-101511777-A Process for preparing N-methyladamantyl derivatives by a palladium catalysed coupling reaction followed by reductive amination ASTRAZENECA AB (SE) 2009-08-19 CN disclosed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP disclosed