SCHEMBL3713046

SCHEMBL3713046

COc1ccc(N2CCN(C3CCN(CCc4ccccc4)CC3)CC2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
HTR1A P08908 5/20 0.54
SLC6A4 P31645 4/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 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 SCHEMBL3708818 0.99 MAPT (0.58) MAPTHTR1ASLC6A4ALDH1A1GAA
SCHEMBL2769304 0.89 ADRA1D (0.62) HTR1AALDH1A1ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3709653 0.86 ADRA1D (0.55) MAPTADRA1DADRA1AADRA1B
SCHEMBL3711300 0.84 MAPT (0.70) MAPTALDH1A1ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3706215 0.83 MAPT (0.68) MAPTALDH1A1ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3703905 0.78 MEN1 (0.61) MAPTALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL3708962 0.78 MAPT (0.61) MAPTHTR1AALDH1A1ADRA1DADRA1A
SCHEMBL3707936 0.78 MAPT (0.51) MAPTADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3707739 0.77 MAPT (0.60) MAPTALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL3713043 0.77 CHRM2 (0.47) HTR1AALDH1A1ADRA1DADRA1AADRA1B

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 1 patent. 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 disclosed