SCHEMBL6446022

SCHEMBL6446022

CNC[C@@H](Cc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1)OC(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.71

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
Benzoic Acid SCHEMBL6446018 0.86 P2RX7 (0.86) P2RX7
SCHEMBL5549870 0.83 P2RX7 (1.00) P2RX7
SCHEMBL5553077 0.83 P2RX7 (1.00) P2RX7
Hydrochloric Acid SCHEMBL5552964 0.82 P2RX7 (0.98) P2RX7
SCHEMBL5555101 0.78 P2RX7 (0.82) P2RX7
SCHEMBL5553043 0.78 P2RX7 (0.82) P2RX7
SCHEMBL5553834 0.76 P2RX7 (0.79) P2RX7
SCHEMBL5549866 0.76 P2RX7 (0.82) P2RX7
SCHEMBL5549877 0.76 P2RX7 (0.82) P2RX7
SCHEMBL5553070 0.76 P2RX7 (0.82) 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-1599432-A1 ADAMANTANE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM AstraZeneca AB (SE) 2005-11-30 EP claimed
WO-2004074224-A1 ADAMANTANE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM ASTRAZENECA AB (SE) 2004-09-02 WO claimed