SCHEMBL6941644

SCHEMBL6941644

COc1ccc(Cl)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 1.00
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
P2RX3 P56373 1/20 0.53
EPHX2 P34913 1/20 0.51

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 0.87 P2RX7 (1.00) P2RX7LMNAMAPTMAPK1L3MBTL1
SCHEMBL6939157 0.84 P2RX7 (0.82) P2RX7LMNAMAPTMAPK1L3MBTL1
SCHEMBL6939890 0.83 P2RX7 (0.70) P2RX7
SCHEMBL7664715 0.82 P2RX7 (0.69) P2RX7EPHX2
SCHEMBL6941160 0.81 P2RX7 (0.67) P2RX7EPHX2
SCHEMBL6940467 0.79 P2RX7 (0.69) P2RX7LMNAMAPTMAPK1L3MBTL1
SCHEMBL6940565 0.78 P2RX7 (1.00) P2RX7
SCHEMBL30116223 0.76 POLB (0.62) P2RX7
SCHEMBL20596945 0.76 POLB (0.62) P2RX7
SCHEMBL30021051 0.76 TDP1 (0.61) P2RX7LMNAMAPTMAPK1

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