SCHEMBL3715364

SCHEMBL3715364

c1ccc(CCN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
HTR1A P08908 1/20 0.71
DRD2 P14416 1/20 0.71
L3MBTL3 Q96JM7 8/20 0.63
L3MBTL1 Q9Y468 7/20 0.63
MBTD1 Q05BQ5 2/20 0.63
TP53BP1 Q12888 1/20 0.63
SIGMAR1 Q99720 2/20 0.59
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 1/20 0.58
ACHE P22303 1/20 0.56
GRIN2B Q13224 1/20 0.55
CCR3 P51677 1/20 0.55

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 SCHEMBL3705096 0.99 MAPT (0.97) MAPTHTR1ADRD2L3MBTL3L3MBTL1
SCHEMBL3703984 0.91 MAPT (0.82) MAPTHTR1ADRD2L3MBTL3L3MBTL1
SCHEMBL3714821 0.90 MAPT (0.81) MAPTHTR1ADRD2L3MBTL3L3MBTL1
SCHEMBL3712898 0.90 MAPT (0.81) MAPTHTR1ADRD2L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL3708908 0.90 MAPT (0.81) MAPTHTR1ADRD2L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL3719373 0.90 MAPT (0.81) MAPTHTR1ADRD2L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL3712237 0.88 MAPT (0.79) MAPTHTR1ADRD2L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL3712573 0.86 MAPT (0.75) MAPTHTR1ADRD2L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL3705452 0.86 MAPT (0.75) MAPTHTR1ADRD2L3MBTL3L3MBTL1
SCHEMBL3712631 0.85 MAPT (0.73) MAPTHTR1ADRD2L3MBTL3L3MBTL1

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