SCHEMBL6574791

SCHEMBL6574791

NCCNCCNc1ccc(Cl)c(C(=O)N(CC(=O)O)CC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.41
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6574980 0.92 P2RX7 (0.50) P2RX7HDAC6LMNAEPHX2
SCHEMBL6574891 0.89 P2RX7 (0.40) P2RX7LMNAEPHX2
SCHEMBL6571362 0.88 P2RX7 (0.41) P2RX7HDAC6LMNAEPHX2
SCHEMBL6573153 0.88 P2RX7 (0.39) P2RX7LMNAEPHX2
SCHEMBL6575181 0.79 P2RX7 (0.63) P2RX7
SCHEMBL6572556 0.72 P2RX7 (0.61) P2RX7
SCHEMBL6571934 0.72 SCN9A (0.46) P2RX7LMNAEPHX2ALDH1A1
SCHEMBL6571938 0.71 P2RX7 (0.62) P2RX7
SCHEMBL6571547 0.71 P2RX7 (0.62) P2RX7
SCHEMBL5077403 0.71 P2RX7 (0.74) 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
EP-1240132-B1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-07 EP claimed