SCHEMBL6937002

SCHEMBL6937002

Cc1[nH]c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2c1C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.57
GPR55 Q9Y2T6 1/20 0.52
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
EPHX2 P34913 1/20 0.47
USP2 O75604 1/20 0.46

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
SCHEMBL22775803 0.76 P2RX7 (0.59) P2RX7GPR55POLBNPSR1CA12
SCHEMBL29431287 0.76 P2RX7 (0.59) P2RX7GPR55POLBNPSR1CA12
SCHEMBL6939822 0.75 P2RX7 (0.67) P2RX7GPR55POLBNPSR1CA12
SCHEMBL25811358 0.73 TERT (0.73) KMT2A
SCHEMBL6936605 0.73 P2RX7 (1.00) P2RX7POLBNPSR1KMT2AMEN1
SCHEMBL3321984 0.72 P2RX7 (0.72) P2RX7GPR55POLBNPSR1CA12
SCHEMBL22775754 0.72 P2RX7 (0.63) P2RX7GPR55POLBNPSR1CA12
SCHEMBL25811364 0.72 TERT (0.73) KMT2AMEN1
SCHEMBL29431220 0.72 P2RX7 (0.60) P2RX7GPR55POLBNPSR1CA12
SCHEMBL22775722 0.72 P2RX7 (0.60) P2RX7GPR55POLBNPSR1CA12

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 5 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
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