SCHEMBL3707936

SCHEMBL3707936

Cc1cc(F)ccc1N1CCN(C2CCN(CCc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
L3MBTL3 Q96JM7 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
MBTD1 Q05BQ5 1/20 0.46
TP53BP1 Q12888 1/20 0.46
CYP2C9 P11712 1/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR7 P34969 2/20 0.44
HTR6 P50406 1/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL13284116 0.88 PARP1 (0.47) L3MBTL3L3MBTL1DRD2DRD4
Hydrochloric Acid SCHEMBL3712833 0.87 PARP1 (0.46) L3MBTL3L3MBTL1DRD2DRD4
SCHEMBL3703305 0.84 MAPT (0.49) MAPTL3MBTL3L3MBTL1MBTD1TP53BP1
Hydrochloric Acid SCHEMBL3712977 0.83 MAPT (0.48) MAPTL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL3806875 0.82 MAPT (0.58) MAPTL3MBTL3L3MBTL1MBTD1TP53BP1
Hydrochloric Acid SCHEMBL3708195 0.80 MAPT (0.69) MAPTL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL3711300 0.78 MAPT (0.70) MAPTCYP2C9ADRA1DADRA1AADRA1B
SCHEMBL3713046 0.78 MAPT (0.59) MAPTADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3705133 0.78 MAPT (0.58) MAPTL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL3800379 0.77 MAPT (0.53) MAPTL3MBTL3L3MBTL1MBTD1TP53BP1

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