SCHEMBL3716319

SCHEMBL3716319

c1ccc(N2CCN(C3CCN(c4ccncc4)CC3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.67
L3MBTL3 Q96JM7 2/20 0.67
MBTD1 Q05BQ5 1/20 0.67
GRIN2B Q13224 1/20 0.61
DRD2 P14416 3/20 0.57
DRD3 P35462 3/20 0.57
MAPT P10636 3/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 3/20 0.54
DRD4 P21917 2/20 0.52
KDM4E B2RXH2 3/20 0.52
THRB P10828 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CXCR4 P61073 1/20 0.49
KDM1A O60341 1/20 0.49
MAOB P27338 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 SCHEMBL3716101 0.98 L3MBTL1 (0.65) L3MBTL1L3MBTL3MBTD1GRIN2BDRD2
SCHEMBL3784411 0.84 TRPV6 (0.64) L3MBTL1L3MBTL3MBTD1MAPTALDH1A1
SCHEMBL14161697 0.84 GRIN2B (0.76) L3MBTL1L3MBTL3MBTD1GRIN2BDRD2
SCHEMBL18590696 0.84 CHKA (0.67) MAPTGAADRD4KDM4EHRH3
SCHEMBL18867080 0.83 L3MBTL3 (0.53) L3MBTL1L3MBTL3MBTD1GRIN2BALDH1A1
Hydrochloric Acid SCHEMBL3710266 0.83 MAPT (0.60) L3MBTL1L3MBTL3DRD2DRD3MAPT
Hydrochloric Acid SCHEMBL3788371 0.83 TRPV6 (0.63) L3MBTL1L3MBTL3MBTD1MAPTALDH1A1
SCHEMBL28784973 0.83 HRH3 (0.48) L3MBTL1L3MBTL3MBTD1GRIN2BDRD2
SCHEMBL3713534 0.82 CYP2D6 (0.47) L3MBTL1L3MBTL3MBTD1GRIN2BDRD2
SCHEMBL3640868 0.81 CHKA (0.50) L3MBTL1L3MBTL3MBTD1GRIN2BDRD2

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