SCHEMBL6573153

SCHEMBL6573153

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

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.39
LMNA P02545 1/20 0.36
GPR55 Q9Y2T6 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL6571362 0.90 P2RX7 (0.41) P2RX7LMNAEPHX2
SCHEMBL6574891 0.88 P2RX7 (0.40) P2RX7LMNAEPHX2
SCHEMBL6574791 0.88 P2RX7 (0.41) P2RX7LMNAEPHX2
SCHEMBL6574980 0.87 P2RX7 (0.50) P2RX7LMNAEPHX2
SCHEMBL6572862 0.81 P2RX7 (0.58) P2RX7
SCHEMBL6572556 0.74 P2RX7 (0.61) P2RX7
SCHEMBL7689756 0.72 P2RX7 (0.45) P2RX7
SCHEMBL6571934 0.71 SCN9A (0.46) P2RX7LMNAEPHX2
SCHEMBL6572489 0.71 P2RX7 (0.57) P2RX7
SCHEMBL6571938 0.69 P2RX7 (0.62) 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