SCHEMBL3708916

SCHEMBL3708916

COc1ccc(N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
SIGMAR1 Q99720 1/20 0.59
KDM4E B2RXH2 5/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
MAPT P10636 3/20 0.57
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
CHRM4 P08173 1/20 0.56
TDP1 Q9NUW8 2/20 0.56
GLA P06280 1/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ACHE P22303 1/20 0.55
BACE1 P56817 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
SCHEMBL11923385 0.87 SIGMAR1 (0.79) ALDH1A1SIGMAR1KMT2AMAPTLMNA
SCHEMBL3712719 0.87 MAPT (0.74) ALDH1A1KMT2AMAPTL3MBTL1RECQL
Hydrochloric Acid SCHEMBL3706847 0.85 MAPT (0.72) ALDH1A1KMT2AMAPTL3MBTL1RECQL
Hydrochloric Acid SCHEMBL11213408 0.85 SIGMAR1 (0.77) ALDH1A1SIGMAR1KMT2AMEN1MAPT
SCHEMBL2876304 0.83 SIGMAR1 (0.72) ALDH1A1SIGMAR1KMT2AMAPTLMNA
SCHEMBL3711524 0.81 DRD4 (0.70) ALDH1A1SIGMAR1MAPTL3MBTL1RECQL
SCHEMBL3711938 0.81 MAPT (0.61) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL9243053 0.80 TRPV6 (0.64) ALDH1A1SIGMAR1KDM4E
SCHEMBL3563737 0.80 KDM4E (0.64) ALDH1A1KDM4EKMT2AMEN1TDP1
Hydrochloric Acid SCHEMBL3793856 0.80 DRD4 (0.68) ALDH1A1SIGMAR1MAPTL3MBTL1RECQL

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