SCHEMBL6943592

SCHEMBL6943592

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2[nH]ccc12

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.58

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
SCHEMBL4153919 0.86 P2RX7 (0.59) P2RX7
SCHEMBL5510977 0.78 TRPV1 (0.46) P2RX7
SCHEMBL4509232 0.75 P2RX7 (0.79) P2RX7
SCHEMBL25120814 0.74 DHPS (0.57)
SCHEMBL4865366 0.74 MAPK1 (0.56)
SCHEMBL6939819 0.74 P2RX7 (0.80) P2RX7
SCHEMBL6939822 0.74 P2RX7 (0.67) P2RX7
SCHEMBL6940565 0.74 P2RX7 (1.00) P2RX7
SCHEMBL4508579 0.74 MEN1 (0.61) P2RX7
SCHEMBL2998509 0.74 P2RX7 (0.59) 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 3 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
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