SCHEMBL6941896

SCHEMBL6941896

NCCCOc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc(OCCCN)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.53
P2RX7 Q99572 5/20 0.52
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
GPR55 Q9Y2T6 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 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
SCHEMBL6939407 0.81 P2RX7 (0.72) EPHX2P2RX7
SCHEMBL6941160 0.80 P2RX7 (0.67) EPHX2P2RX7GPR55KMT2A
Hydrochloric Acid SCHEMBL6943149 0.80 P2RX7 (0.71) EPHX2P2RX7
Hydrochloric Acid SCHEMBL6943145 0.75 P2RX7 (0.71) EPHX2P2RX7KMT2A
SCHEMBL6941695 0.74 P2RX7 (0.65) P2RX7CA12CA9GPR55MEN1
SCHEMBL6567675 0.70 P2RX7 (0.65) EPHX2P2RX7CA12CA9GPR55
SCHEMBL31390721 0.70 CNR2 (0.70) EPHX2P2RX7CA12CA9GPR55
SCHEMBL4257611 0.70 EPHX2 (1.00) EPHX2
SCHEMBL27870154 0.69 EPHX2 (0.77) EPHX2
SCHEMBL22775754 0.69 P2RX7 (0.63) EPHX2P2RX7CA12CA9GPR55

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 4 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