SCHEMBL6940467

SCHEMBL6940467

COc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.69
KMT2A Q03164 2/20 0.51
P2RX3 P56373 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6945973 0.83 P2RX7 (0.63) P2RX7KMT2AP2RX3LMNAMAPT
SCHEMBL6941341 0.82 P2RX7 (1.00) P2RX7KMT2AP2RX3
SCHEMBL6860227 0.82 P2RX7 (1.00) P2RX7P2RX3LMNAMAPTMAPK1
SCHEMBL6941160 0.81 P2RX7 (0.67) P2RX7KMT2A
SCHEMBL6939157 0.80 P2RX7 (0.82) P2RX7P2RX3LMNAMAPTMAPK1
SCHEMBL6941644 0.79 P2RX7 (1.00) P2RX7P2RX3LMNAMAPTMAPK1
SCHEMBL6939213 0.75 P2RX7 (0.59) P2RX7ALDH1A1
SCHEMBL6939826 0.74 P2RX7 (0.68) P2RX7ALDH1A1
SCHEMBL7570184 0.74 P2RX7 (0.65) P2RX7KMT2AMEN1ALDH1A1
SCHEMBL6943094 0.73 P2RX7 (0.78) P2RX7KMT2ALMNAMAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036058-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2003-03-12 EP claimed
US-6242470-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS, ANTIALLERGENS; IRRITABLE BOWEL SYNDROME; AMIDATION ASTRAZENECA AB (SE) 2001-06-05 US claimed
EP-1036058-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2003-03-12 EP disclosed
US-6242470-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS, ANTIALLERGENS; IRRITABLE BOWEL SYNDROME; AMIDATION ASTRAZENECA AB (SE) 2001-06-05 US disclosed