SCHEMBL3672031

SCHEMBL3672031

CC1CCCC(O)(CNCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
IL1B P01584 5/20 0.38
P2RX7 Q99572 4/20 0.38

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
SCHEMBL2006407 1.00 GAA (0.40) GAAIL1BP2RX7
SCHEMBL17065387 0.80 MEN1 (0.47) GAA
SCHEMBL26126158 0.80 MEN1 (0.47) GAA
SCHEMBL7277140 0.79 MEN1 (0.45)
SCHEMBL6377917 0.78 CYP1A2 (0.59) GAAP2RX7
SCHEMBL6377922 0.78 CYP1A2 (0.59) GAAP2RX7
SCHEMBL19585998 0.77 MEN1 (0.50) GAA
SCHEMBL18785455 0.72 DPP7 (0.43)
SCHEMBL10641408 0.71 CD274 (0.45) P2RX7
SCHEMBL17065366 0.70 KDM4E (0.43) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679350-A Quinoline derivatives for the treatment of inflammatory diseases ASTRAZENECA AB 2010-03-24 CN disclosed
EP-2139879-A1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2010-01-06 EP disclosed
WO-2008114002-A1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2008-09-25 WO disclosed