SCHEMBL3705960

SCHEMBL3705960

COc1ccccc1N1CCN(C2CCN(Cc3ccccc3Cl)CC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.65
KDM4E B2RXH2 6/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 2/20 0.57
PLA2G1B P04054 1/20 0.56
RAB9A P51151 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
HRH2 P25021 1/20 0.54
HRH1 P35367 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL3710001 0.91 KDM4E (0.62) HTR7KDM4EMAPTKMT2AMEN1
SCHEMBL3563737 0.86 KDM4E (0.64) HTR7KDM4EKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL3710903 0.85 KDM4E (0.62) HTR7KDM4EKMT2AMEN1ALDH1A1
SCHEMBL3708205 0.84 C5AR1 (0.61) HTR7KDM4EKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL3703420 0.83 C5AR1 (0.60) HTR7KDM4EKMT2AMEN1ALDH1A1
SCHEMBL15937830 0.79 HTR7 (1.00) HTR7KDM4EMAPTHTTLMNA
SCHEMBL3709633 0.76 DRD2 (0.61) HTR7KDM4EMAPTKMT2AALDH1A1
SCHEMBL17523584 0.76 ALDH1A1 (0.69) KDM4EALDH1A1PLA2G1BRAB9AATG4B
SCHEMBL3705468 0.76 KDM4E (0.57) KDM4EKMT2AALDH1A1PLA2G1BRAB9A
SCHEMBL4913485 0.76 ALDH1A1 (0.60) KDM4EALDH1A1HTTTDP1DRD2

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