SCHEMBL6941252

SCHEMBL6941252

Cc1c(CO)cccc1NC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.69

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
SCHEMBL6939819 0.86 P2RX7 (0.80) P2RX7
SCHEMBL6940510 0.85 P2RX7 (0.72) P2RX7
SCHEMBL6941341 0.81 P2RX7 (1.00) P2RX7
Hydrochloric Acid SCHEMBL6943145 0.75 P2RX7 (0.71) P2RX7
SCHEMBL7965380 0.75 P2RX7 (0.71) P2RX7
SCHEMBL6941247 0.75 P2RX7 (0.69) P2RX7
SCHEMBL6940565 0.75 P2RX7 (1.00) P2RX7
SCHEMBL4154965 0.74 P2RX7 (0.62) P2RX7
SCHEMBL7924727 0.74 ALDH1A1 (0.46)
SCHEMBL6939826 0.73 P2RX7 (0.68) 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 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