SCHEMBL4459923

SCHEMBL4459923

O=CC(N1CCN(c2ccc(F)cc2)CC1)n1cc(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTT P42858 4/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
ELANE P08246 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL4014716 0.86 GFER (0.40) MAPTDRD2DRD3HTTALDH1A1
SCHEMBL4019239 0.85 MEN1 (0.40) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4016082 0.85 DRD2 (0.38) MAPTMEN1KMT2ADRD2DRD3
SCHEMBL4015182 0.78 DRD2 (0.40) MAPTMEN1KMT2ADRD2DRD3
SCHEMBL4020863 0.77 CCR1 (0.44) HSP90AA1MAPTMEN1KMT2ADRD2
SCHEMBL13739199 0.74 ALDH1A1 (0.53) MAPTHTTALDH1A1LMNAMAPK1
SCHEMBL6167745 0.74 MEN1 (0.44) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4016465 0.74 ALDH1A1 (0.35) HSP90AA1MAPTMEN1KMT2ADRD2
SCHEMBL5356918 0.71 PANK3 (0.37) HSP90AA1MAPTMEN1KMT2AALDH1A1
SCHEMBL4014691 0.71 MAPT (0.49) HSP90AA1MAPTHTTALDH1A1LMNA

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
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 WO disclosed