SCHEMBL3670038

SCHEMBL3670038

CC1CCCC(O)(CNC(=O)c2c(Cl)ccc3nc(N4CCC(O)CC4)ccc23)C1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.83
IL1B P01584 1/20 0.44

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
SCHEMBL2005583 1.00 P2RX7 (0.83) P2RX7IL1B
SCHEMBL2005585 1.00 P2RX7 (0.83) P2RX7IL1B
SCHEMBL2010217 0.96 P2RX7 (0.85) P2RX7
SCHEMBL2007598 0.96 P2RX7 (0.85) P2RX7
SCHEMBL2010222 0.96 P2RX7 (0.85) P2RX7
SCHEMBL2007601 0.96 P2RX7 (0.85) P2RX7
SCHEMBL17323979 0.94 P2RX7 (0.84) P2RX7IL1B
SCHEMBL17323933 0.94 P2RX7 (0.84) P2RX7IL1B
SCHEMBL17323934 0.91 P2RX7 (1.00) P2RX7IL1B
SCHEMBL17324059 0.91 P2RX7 (1.00) P2RX7IL1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139879-A1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2010-01-06 EP claimed
WO-2008114002-A1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2008-09-25 WO claimed