SCHEMBL6571362

SCHEMBL6571362

CN(C)C(=O)CCNCCNc1ccc(Cl)c(C(=O)N(CC(=O)O)CC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.41
LMNA P02545 1/20 0.36
EPHX2 P34913 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL6573153 0.90 P2RX7 (0.39) P2RX7LMNAEPHX2
SCHEMBL6574891 0.88 P2RX7 (0.40) P2RX7LMNAEPHX2
SCHEMBL6574791 0.88 P2RX7 (0.41) P2RX7LMNAEPHX2HDAC6
SCHEMBL6574980 0.87 P2RX7 (0.50) P2RX7LMNAEPHX2HDAC6
SCHEMBL6572489 0.81 P2RX7 (0.57) P2RX7
SCHEMBL6572556 0.74 P2RX7 (0.61) P2RX7
SCHEMBL6572993 0.73 P2RX7 (0.58) P2RX7
SCHEMBL6571934 0.73 SCN9A (0.46) P2RX7LMNAEPHX2
SCHEMBL7687681 0.73 P2RX7 (0.45) P2RX7
SCHEMBL6572862 0.70 P2RX7 (0.58) 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