SCHEMBL3709633

SCHEMBL3709633

Clc1ccccc1N1CCN(C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.61
DRD4 P21917 2/20 0.61
DRD3 P35462 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
RECQL P46063 1/20 0.58
TSHR P16473 1/20 0.56
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
PLA2G1B P04054 1/20 0.54
RAB9A P51151 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
MAPT P10636 1/20 0.53
HTR7 P34969 1/20 0.53
ACHE P22303 1/20 0.51
KMT2A Q03164 1/20 0.50

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
Hydrochloric Acid SCHEMBL3710452 0.99 DRD2 (0.59) DRD2DRD4DRD3SMN1; SMN2RECQL
SCHEMBL3709570 0.86 SMN1; SMN2 (0.59) DRD2DRD4DRD3SMN1; SMN2RECQL
Hydrochloric Acid SCHEMBL3706389 0.85 SMN1; SMN2 (0.57) DRD2DRD4DRD3SMN1; SMN2RECQL
SCHEMBL6864941 0.85 DRD4 (0.81) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL3709310 0.85 RECQL (0.70) DRD2DRD4DRD3SMN1; SMN2RECQL
SCHEMBL3712719 0.84 MAPT (0.74) DRD2DRD4DRD3SMN1; SMN2RECQL
Hydrochloric Acid SCHEMBL3706762 0.83 RECQL (0.68) DRD2DRD4DRD3SMN1; SMN2RECQL
SCHEMBL3563737 0.83 KDM4E (0.64) DRD2DRD4DRD3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3706847 0.82 MAPT (0.72) DRD2DRD4DRD3SMN1; SMN2RECQL
Hydrochloric Acid SCHEMBL3710903 0.82 KDM4E (0.62) DRD2DRD4DRD3ALDH1A1KDM4E

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