SCHEMBL4639716

SCHEMBL4639716

CC1(C(=O)N[C@H]2CCCCC(=O)N2)CCCC[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.36
HTT P42858 1/20 0.33
SLC6A3 Q01959 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL8918981 0.75 ALDH1A1 (0.40) CCR2HTT
SCHEMBL1062408 0.73 CCR2 (0.41) CCR2
SCHEMBL1080106 0.73 CCR2 (0.41) CCR2
SCHEMBL1080108 0.72 CCR2 (0.70) CCR2
SCHEMBL1062410 0.72 CCR2 (0.70) CCR2
SCHEMBL16214717 0.71 SLC6A3 (0.43) CCR2HTTSLC6A3
SCHEMBL4618619 0.70 KMT2A (0.37)
SCHEMBL7421794 0.68 BTK (0.44)
SCHEMBL1114653 0.67 CCR2 (0.40) CCR2
SCHEMBL1272610 0.67 CRBN (0.36)

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-1896036-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Limited (GB) 2008-03-12 EP disclosed
WO-2006134384-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2006-12-21 WO disclosed