SCHEMBL6941775

SCHEMBL6941775

COc1ccc(C)c(NC(=O)CC23CC4CC(CC(C4)O2)C3)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.74
ABCB11 O95342 1/20 0.47
MAPK1 P28482 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6860227 0.85 P2RX7 (1.00) P2RX7ABCB11MAPK1LMNAMAPT
SCHEMBL6939824 0.79 P2RX7 (0.71) P2RX7MAPK1LMNAMAPTL3MBTL1
SCHEMBL6943094 0.77 P2RX7 (0.78) P2RX7LMNAMAPTALDH1A1USP2
SCHEMBL6939157 0.76 P2RX7 (0.82) P2RX7MAPK1LMNAMAPTL3MBTL1
SCHEMBL6941644 0.75 P2RX7 (1.00) P2RX7MAPK1LMNAMAPTL3MBTL1
SCHEMBL5515290 0.74 P2RX7 (0.64) P2RX7MAPK1LMNAMAPTNPSR1
SCHEMBL6943104 0.72 P2RX7 (0.76) P2RX7ABCB11MAPK1NPSR1
SCHEMBL6939404 0.72 P2RX7 (0.72) P2RX7ABCB11MAPK1NPSR1
SCHEMBL6939407 0.71 P2RX7 (0.72) P2RX7ABCB11
SCHEMBL7956634 0.71 P2RX7 (0.72) P2RX7ABCB11MAPK1NPSR1

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 6 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
EP-1036058-A1 ADAMANTANE DERIVATIVES AstraZeneca UK Limited (GB) 2000-09-20 EP disclosed
WO-1999029660-A1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-06-17 WO disclosed