SCHEMBL3704828

SCHEMBL3704828

Cc1ccccc1N1CCN(C2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.56
HTR7 P34969 1/20 0.56
SIGMAR1 Q99720 13/20 0.53
MAPT P10636 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49

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 SCHEMBL3708311 0.87 MAPT (0.56) HTR1AMAPTCYP1A2ADRA1DADRA1A
SCHEMBL3711300 0.85 MAPT (0.70) MAPTADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3705133 0.84 MAPT (0.58) HTR1AMAPTADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3706215 0.84 MAPT (0.68) MAPTADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3709653 0.80 ADRA1D (0.55) SIGMAR1MAPTADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3710653 0.80 MAPT (0.53) HTR1AMAPTADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3703905 0.79 MEN1 (0.61) MAPTADRA1DADRA1AADRA1B
SCHEMBL3709570 0.78 SMN1; SMN2 (0.59) HTR7MAPT
Hydrochloric Acid SCHEMBL3706389 0.77 SMN1; SMN2 (0.57) HTR7MAPT
SCHEMBL3704825 0.75 MBTD1 (0.45) ADRA1DADRA1AADRA1B

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