SCHEMBL4014716

SCHEMBL4014716

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.40
MAPT P10636 4/20 0.38
IGF1R P08069 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4459923 0.86 HSP90AA1 (0.40) GFERMAPTLMNAALDH1A1TDP1
SCHEMBL4019239 0.86 MEN1 (0.40) GFERMAPTLMNAALDH1A1TDP1
SCHEMBL4016082 0.86 DRD2 (0.38) GFERMAPTLMNAALDH1A1TDP1
SCHEMBL4015182 0.79 DRD2 (0.40) GFERMAPTLMNAALDH1A1TDP1
SCHEMBL13739199 0.76 ALDH1A1 (0.53) GFERMAPTLMNAALDH1A1TDP1
SCHEMBL6167745 0.75 MEN1 (0.44) GFERMAPTLMNAALDH1A1TDP1
SCHEMBL4020863 0.73 CCR1 (0.44) MAPTLMNAALDH1A1TDP1HTT
SCHEMBL6168372 0.71 GFER (0.42) GFERMAPTLMNAALDH1A1TDP1
SCHEMBL4016465 0.70 ALDH1A1 (0.35) MAPTLMNAALDH1A1TDP1HTT
SCHEMBL4014691 0.69 MAPT (0.49) GFERMAPTLMNAALDH1A1TDP1

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