SCHEMBL7658545

SCHEMBL7658545

O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cc(CN2CCN(C(=O)O)CC2)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.63

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
SCHEMBL7660243 0.87 P2RX7 (0.82) P2RX7
SCHEMBL7664510 0.81 P2RX7 (0.58) P2RX7
SCHEMBL7667287 0.80 P2RX7 (0.67) P2RX7
SCHEMBL7663299 0.77 P2RX7 (1.00) P2RX7
SCHEMBL7557040 0.77 P2RX7 (0.78) P2RX7
SCHEMBL7655951 0.77 P2RX7 (0.68) P2RX7
SCHEMBL7658517 0.77 P2RX7 (0.77) P2RX7
SCHEMBL7570366 0.76 P2RX7 (0.78) P2RX7
SCHEMBL7656142 0.75 P2RX7 (0.74) P2RX7
SCHEMBL7556108 0.75 P2RX7 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 US disclosed