SCHEMBL3708962

SCHEMBL3708962

Cc1cnccc1N1CCN(C2CCN(CCc3ccccc3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
ACHE P22303 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
CYP2C9 P11712 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CCR3 P51677 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42

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 SCHEMBL3707739 0.99 MAPT (0.60) MAPTMEN1ALDH1A1KMT2AACHE
SCHEMBL3711300 0.86 MAPT (0.70) MAPTMEN1ALDH1A1KMT2AACHE
Hydrochloric Acid SCHEMBL3706215 0.85 MAPT (0.68) MAPTMEN1ALDH1A1KMT2AACHE
Hydrochloric Acid SCHEMBL3703905 0.80 MEN1 (0.61) MAPTMEN1ALDH1A1KMT2AACHE
Hydrochloric Acid SCHEMBL3708908 0.80 MAPT (0.81) MAPTACHENPSR1HTR1ADRD2
SCHEMBL3713046 0.78 MAPT (0.59) MAPTALDH1A1ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3705133 0.78 MAPT (0.58) MAPTMEN1ALDH1A1KMT2AACHE
Hydrochloric Acid SCHEMBL3708818 0.78 MAPT (0.58) MAPTALDH1A1HTR1A
SCHEMBL3715364 0.77 MAPT (1.00) MAPTALDH1A1ACHENPSR1CCR3
SCHEMBL27429046 0.76 MAPT (0.74) MAPTACHECCR3

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