SCHEMBL6940565

SCHEMBL6940565

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 1.00
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
USP2 O75604 1/20 0.54

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
SCHEMBL4207053 0.92 P2RX7 (0.85) P2RX7MEN1KMT2AUSP2
SCHEMBL3456480 0.88 P2RX7 (0.77) P2RX7MEN1KMT2AUSP2
SCHEMBL6939890 0.82 P2RX7 (0.70) P2RX7MEN1KMT2AUSP2
SCHEMBL6941699 0.82 P2RX7 (0.70) P2RX7MEN1KMT2AUSP2
SCHEMBL4207060 0.81 P2RX7 (0.67) P2RX7KMT2AUSP2
SCHEMBL11884308 0.80 P2RX7 (1.00) P2RX7MEN1KMT2AUSP2
SCHEMBL6567675 0.78 P2RX7 (0.65) P2RX7MEN1KMT2AUSP2
SCHEMBL6941644 0.78 P2RX7 (1.00) P2RX7
SCHEMBL6939819 0.78 P2RX7 (0.80) P2RX7MEN1KMT2AUSP2
SCHEMBL3321984 0.77 P2RX7 (0.72) P2RX7MEN1KMT2AUSP2

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