SCHEMBL6939890

SCHEMBL6939890

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cc(O)ccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.70
GPR55 Q9Y2T6 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL6941699 0.90 P2RX7 (0.70) P2RX7GPR55MEN1USP2KMT2A
SCHEMBL6939404 0.84 P2RX7 (0.72) P2RX7GPR55
SCHEMBL6594387 0.84 P2RX7 (0.61) P2RX7GPR55MEN1USP2KMT2A
SCHEMBL6941644 0.83 P2RX7 (1.00) P2RX7
SCHEMBL6940565 0.82 P2RX7 (1.00) P2RX7MEN1USP2KMT2A
SCHEMBL6941223 0.82 P2RX7 (0.70) P2RX7GPR55CA12CA9
SCHEMBL6567675 0.81 P2RX7 (0.65) P2RX7GPR55MEN1USP2KMT2A
SCHEMBL3321984 0.80 P2RX7 (0.72) P2RX7GPR55MEN1USP2KMT2A
SCHEMBL6941695 0.79 P2RX7 (0.65) P2RX7GPR55MEN1USP2KMT2A
SCHEMBL12932448 0.79 P2RX7 (0.75) P2RX7GPR55MEN1USP2KMT2A

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 7 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-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 US 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