SCHEMBL3639009

SCHEMBL3639009

CC(C1CCCN1)N1C[CH]CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 5/20 0.33

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
SCHEMBL6079957 0.77 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL27980514 0.75 SIGMAR1 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL6968694 0.72 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL4628866 0.70 SLC6A3 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL25877030 0.70 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL4741001 0.70 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL7126837 0.69 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL28078048 0.68 SIGMAR1 (0.33)
SCHEMBL7127937 0.67 SIGMAR1 (0.32)
SCHEMBL738216 0.65

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-2155689-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP claimed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO claimed
EP-2155689-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO disclosed