SCHEMBL6945973

SCHEMBL6945973

COc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.63
MAPK1 P28482 4/20 0.62
MAPT P10636 3/20 0.62
LMNA P02545 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.46
P2RX3 P56373 1/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6940467 0.83 P2RX7 (0.69) P2RX7MAPK1MAPTLMNAL3MBTL1
SCHEMBL6860227 0.78 P2RX7 (1.00) P2RX7MAPK1MAPTLMNAL3MBTL1
SCHEMBL6941160 0.76 P2RX7 (0.67) P2RX7KMT2A
SCHEMBL6939157 0.75 P2RX7 (0.82) P2RX7MAPK1MAPTLMNAL3MBTL1
SCHEMBL6941644 0.74 P2RX7 (1.00) P2RX7MAPK1MAPTLMNAL3MBTL1
SCHEMBL18992830 0.73 P2RX7 (0.62) P2RX7MAPK1MAPTLMNAL3MBTL1
SCHEMBL6939213 0.71 P2RX7 (0.59) P2RX7ALDH1A1
SCHEMBL6941341 0.71 P2RX7 (1.00) P2RX7P2RX3KMT2A
SCHEMBL6939826 0.70 P2RX7 (0.68) P2RX7ALDH1A1
SCHEMBL22775373 0.70 CA12 (0.56) P2RX7MAPK1MAPTLMNAL3MBTL1

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