SCHEMBL6770077

SCHEMBL6770077

CS(=O)(=O)c1ccc(CN2CCCN(CCC(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.65
LMNA P02545 1/20 0.59
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 3/20 0.58
GFER P55789 1/20 0.56

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
SCHEMBL8458456 0.87 CCR2 (0.65) CCR2LMNA
SCHEMBL4512612 0.82 ALDH1A1 (0.71) ALDH1A1KMT2AGFER
SCHEMBL6776114 0.81 CCR2 (0.58) CCR2LMNA
Hydrochloric Acid SCHEMBL3844581 0.81 ALDH1A1 (0.69) ALDH1A1KMT2AGFER
SCHEMBL6765717 0.80 CCR2 (0.51) CCR2
SCHEMBL5373264 0.79 ALDH1A1 (0.67) ALDH1A1KMT2AGFER
SCHEMBL2725965 0.79 KMT2A (0.90) ALDH1A1KMT2AGFER
SCHEMBL31093108 0.77 KMT2A (0.74) ALDH1A1KMT2AGFER
SCHEMBL14578035 0.77 ALDH1A1 (0.56) LMNAALDH1A1KMT2A
SCHEMBL10507206 0.76 ALDH1A1 (0.96) ALDH1A1KMT2AGFER

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 5 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-A9 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS 1998-03-12 WO disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 WO disclosed