SCHEMBL7570202

SCHEMBL7570202

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 1.00
CCKBR P32239 1/20 0.55
TP53 P04637 1/20 0.55
CA2 P00918 1/20 0.54

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
SCHEMBL7569576 0.86 P2RX7 (1.00) P2RX7CA2
SCHEMBL19354785 0.84 P2RX7 (0.72) P2RX7CA2
SCHEMBL3454922 0.83 P2RX7 (1.00) P2RX7CA2
SCHEMBL7571956 0.79 P2RX7 (1.00) P2RX7
SCHEMBL7571523 0.78 P2RX7 (1.00) P2RX7
SCHEMBL7571588 0.78 P2RX7 (1.00) P2RX7
SCHEMBL19321961 0.77 P2RX7 (0.63) P2RX7CA2
SCHEMBL6362496 0.76 P2RX7 (1.00) P2RX7
SCHEMBL6054751 0.76 P2RX7 (0.70) P2RX7TP53CA2
SCHEMBL17483924 0.76 P2RX7 (0.75) P2RX7CA2

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-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP disclosed