SCHEMBL6776114

SCHEMBL6776114

COC(=O)CCN1CCCN(Cc2ccc(S(C)(=O)=O)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.58
CHKA P35790 1/20 0.51
LMNA P02545 1/20 0.49

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
SCHEMBL8571246 0.89 CHKA (0.50) CCR2CHKA
SCHEMBL8458456 0.86 CCR2 (0.65) CCR2LMNA
SCHEMBL6776140 0.85 CHKA (0.55) CCR2CHKA
SCHEMBL6770077 0.81 CCR2 (0.65) CCR2LMNA
SCHEMBL22516895 0.78 CCR2 (0.59) CCR2CHKALMNA
Hydrochloric Acid SCHEMBL8479099 0.78 KMT2A (0.63) LMNA
SCHEMBL3032788 0.77 NPC1 (0.66) LMNA
SCHEMBL8236801 0.77 HRH3 (0.64) CCR2LMNA
SCHEMBL5483874 0.75 SMN1; SMN2 (0.61) LMNA
SCHEMBL23775497 0.74 CCR2 (0.59) CCR2LMNA

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
US-6686353-B1 PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) 2004-02-03 US disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 EP disclosed
EP-0914319-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1999-05-12 EP disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 WO disclosed