SCHEMBL6770017

SCHEMBL6770017

CC(C)(C)OC(=O)N1CCCN(CCC(O)(c2ccccc2)c2cccc(O)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.58
CYP2D6 P10635 2/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRM1 P35372 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6765350 0.87 CCR2 (0.63) CCR2CYP2D6LMNACHRM2HTR1A
SCHEMBL6770834 0.85 CCR2 (0.49) CCR2CYP2D6LMNACHRM2HTR1A
SCHEMBL7986044 0.75 SIGMAR1 (0.55) CHRM2CHRM1KCNH2MEN1KMT2A
SCHEMBL6765644 0.74 CHRM2 (0.60) CCR2CYP2D6LMNACHRM2HTR1A
SCHEMBL7989733 0.73 SIGMAR1 (0.64) HTR1AOPRM1
SCHEMBL30812113 0.73 EPHX2 (0.60) LMNACHRM2CHRM1MAPK1MEN1
SCHEMBL6768912 0.73 KMT2A (0.59) LMNACHRM2HTR1ACHRM1MEN1
SCHEMBL8210703 0.73 KMT2A (0.55) LMNACHRM2CHRM1MEN1KMT2A
SCHEMBL31245991 0.73 EPHX2 (0.59) LMNACHRM2CHRM1MAPK1
SCHEMBL30812306 0.73 SIGMAR1 (0.54) CHRM2CHRM1OPRM1

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