SCHEMBL3710987

SCHEMBL3710987

CCCc1ccc(N2CCN(C3CCN(C(C)c4ccccc4)CC3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL3 Q96JM7 8/20 0.44
MBTD1 Q05BQ5 2/20 0.44
L3MBTL1 Q9Y468 7/20 0.43
KMT2A Q03164 1/20 0.43
TP53BP1 Q12888 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GRIN2B Q13224 1/20 0.42
SIGMAR1 Q99720 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 SCHEMBL3705451 0.92 MAPT (0.48) MAPTKDM4ECYP2C9CYP2C19L3MBTL3
SCHEMBL3712895 0.91 KDM4E (0.48) MAPTKDM4ECYP2C9CYP2C19L3MBTL3
Hydrochloric Acid SCHEMBL3712234 0.89 KDM4E (0.47) MAPTKDM4ECYP2C9CYP2C19L3MBTL3
SCHEMBL3715359 0.86 L3MBTL3 (0.55) MAPTKDM4ECYP2C9CYP2C19L3MBTL3
Hydrochloric Acid SCHEMBL3705095 0.85 KDM4E (0.54) MAPTKDM4ECYP2C9CYP2C19L3MBTL3
SCHEMBL13283841 0.83 CYP2D6 (0.47) MAPTKDM4ECYP2C9CYP2C19L3MBTL3
Hydrochloric Acid SCHEMBL3708004 0.82 CYP2D6 (0.46) MAPTKDM4ECYP2C9CYP2C19L3MBTL3
SCHEMBL3713534 0.81 CYP2D6 (0.47) MAPTKDM4ECYP2C9CYP2C19L3MBTL3
Hydrochloric Acid SCHEMBL3708906 0.80 CYP2D6 (0.46) MAPTKDM4ECYP2C9CYP2C19L3MBTL3
SCHEMBL3714821 0.80 MAPT (0.81) MAPTL3MBTL3MBTD1L3MBTL1KMT2A

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 3 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
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 WO disclosed