SCHEMBL6944122

SCHEMBL6944122

Cc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1OCCN1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.67
EPHX2 P34913 9/20 0.52
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6943123 0.99 P2RX7 (0.66) P2RX7EPHX2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6941170 0.99 P2RX7 (0.66) P2RX7EPHX2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6943597 0.98 P2RX7 (0.65) P2RX7EPHX2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6943145 0.83 P2RX7 (0.71) P2RX7EPHX2KMT2A
SCHEMBL7965380 0.83 P2RX7 (0.71) P2RX7EPHX2KMT2A
SCHEMBL6941341 0.81 P2RX7 (1.00) P2RX7EPHX2KMT2A
SCHEMBL6939819 0.76 P2RX7 (0.80) P2RX7KMT2A
SCHEMBL6940510 0.75 P2RX7 (0.72) P2RX7KMT2A
SCHEMBL6941252 0.73 P2RX7 (0.69) P2RX7
SCHEMBL4133030 0.72 P2RX7 (0.66) P2RX7EPHX2

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