SCHEMBL6574980

SCHEMBL6574980

O=C(O)CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(NCCNCCCO)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.50
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 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
SCHEMBL6574791 0.92 P2RX7 (0.41) P2RX7HDAC6LMNAEPHX2
SCHEMBL6574891 0.89 P2RX7 (0.40) P2RX7LMNAEPHX2
SCHEMBL6571362 0.87 P2RX7 (0.41) P2RX7HDAC6LMNAEPHX2
SCHEMBL6573153 0.87 P2RX7 (0.39) P2RX7LMNAEPHX2
SCHEMBL5077403 0.79 P2RX7 (0.74) P2RX7
SCHEMBL7570693 0.73 P2RX7 (0.64) P2RX7
Hydrochloric Acid SCHEMBL7573056 0.72 P2RX7 (0.65) P2RX7
SCHEMBL6572556 0.72 P2RX7 (0.61) P2RX7
SCHEMBL6371622 0.72 P2RX7 (0.53) P2RX7HDAC6
SCHEMBL6571934 0.71 SCN9A (0.46) P2RX7LMNAEPHX2

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