SCHEMBL6769249

SCHEMBL6769249

c1ccc(C(CCN2CCCN(Cc3ccc4ccccc4n3)CC2)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.58
FAAH O00519 2/20 0.51
ALDH1A1 P00352 1/20 0.46
DRD4 P21917 1/20 0.44
CYP2D6 P10635 1/20 0.44
CCR5 P51681 1/20 0.44
GRIN2B Q13224 1/20 0.44
KCNA3 P22001 1/20 0.44
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6584608 0.85 FAAH (0.60) FAAHALDH1A1DRD4CYP2D6GRIN2B
SCHEMBL1331198 0.81 FAAH (0.65) FAAHDRD4HTR1AHTR7MEN1
SCHEMBL17289123 0.81 FAAH (0.65) FAAHDRD4HTR1AHTR7MEN1
SCHEMBL6583064 0.80 FAAH (0.50) FAAHDRD4GRIN2BHTR1AHTR7
SCHEMBL27140396 0.79 FAAH (0.57) FAAHALDH1A1DRD4CYP2D6GRIN2B
SCHEMBL13940592 0.79 HRH3 (0.58) FAAHDRD4GRIN2BHTR1AHTR7
SCHEMBL23750987 0.77 FAAH (0.55) FAAHDRD4HTR1AHTR7MEN1
SCHEMBL7495658 0.77 FAAH (0.55) FAAHDRD4HTR1AHTR7MEN1
SCHEMBL13150416 0.77 FAAH (0.53) FAAHALDH1A1DRD4CYP2D6HTR1A
SCHEMBL6770148 0.77 CCR2 (0.81) CCR2ALDH1A1CYP2D6KCNA3MEN1

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
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