SCHEMBL6941341

SCHEMBL6941341

COc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 1.00
KMT2A Q03164 1/20 0.64
P2RX3 P56373 1/20 0.54
EPHX2 P34913 1/20 0.50

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
SCHEMBL6939819 0.85 P2RX7 (0.80) P2RX7KMT2A
SCHEMBL6940510 0.84 P2RX7 (0.72) P2RX7KMT2A
SCHEMBL7965380 0.83 P2RX7 (0.71) P2RX7KMT2AP2RX3EPHX2
Hydrochloric Acid SCHEMBL6943145 0.83 P2RX7 (0.71) P2RX7KMT2AP2RX3EPHX2
SCHEMBL6940467 0.82 P2RX7 (0.69) P2RX7KMT2AP2RX3
SCHEMBL6941252 0.81 P2RX7 (0.69) P2RX7
SCHEMBL6944122 0.81 P2RX7 (0.67) P2RX7KMT2AEPHX2
SCHEMBL6943123 0.80 P2RX7 (0.66) P2RX7KMT2AEPHX2
Hydrochloric Acid SCHEMBL6941170 0.80 P2RX7 (0.66) P2RX7KMT2AEPHX2
Hydrochloric Acid SCHEMBL6943597 0.79 P2RX7 (0.65) P2RX7KMT2AEPHX2

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