SCHEMBL3710001

SCHEMBL3710001

COc1ccccc1CN1CCC(N2CCN(c3ccccc3OC)CC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
HTR7 P34969 5/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 1/20 0.61
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
TSHR P16473 1/20 0.59
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
HRH2 P25021 1/20 0.58
HRH1 P35367 1/20 0.58
DRD3 P35462 1/20 0.58
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL3705960 0.91 HTR7 (0.65) KDM4EHTR7KMT2AALDH1A1MEN1
SCHEMBL3708205 0.88 C5AR1 (0.61) KDM4EHTR7KMT2AALDH1A1MEN1
SCHEMBL3563737 0.88 KDM4E (0.64) KDM4EHTR7KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL3703420 0.87 C5AR1 (0.60) KDM4EHTR7KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL3710903 0.86 KDM4E (0.62) KDM4EHTR7KMT2AALDH1A1MEN1
SCHEMBL3704117 0.79 KDM4E (0.63) KDM4EALDH1A1HTTTDP1DRD2
SCHEMBL26418370 0.79 DRD2 (0.71) KDM4EALDH1A1LMNAHTTTDP1
SCHEMBL14529139 0.78 ALDH1A1 (0.64) KDM4EALDH1A1HTTTDP1DRD2
Hydrochloric Acid SCHEMBL3710255 0.78 KDM4E (0.62) KDM4EALDH1A1HTTTDP1DRD2
SCHEMBL3556792 0.78 DRD2 (0.68) KDM4EALDH1A1LMNAHTTTDP1

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
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 WO claimed
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 WO disclosed