SCHEMBL3795448

SCHEMBL3795448

Fc1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.54
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
AKR1C3 P42330 1/20 0.46
KDM4E B2RXH2 3/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 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
SCHEMBL19123283 0.83 ALDH1A1 (0.62) ALDH1A1MAPTLMNATDP1NPC1
SCHEMBL14337144 0.81 LGMN (0.47) LGMNALDH1A1MAPTMAPK1LMNA
SCHEMBL31380531 0.81 LGMN (0.54) LGMNALDH1A1MAPTLMNAHTT
SCHEMBL1982163 0.81 LGMN (0.61) LGMNALDH1A1MAPTMAPK1LMNA
SCHEMBL5546662 0.81 POLB (0.55) LGMNALDH1A1MAPTLMNAHTT
SCHEMBL974758 0.81 LGMN (0.54) LGMNALDH1A1MAPTLMNANPC1
SCHEMBL14117662 0.81 LGMN (0.54) LGMNALDH1A1MAPTMAPK1LMNA
SCHEMBL5539112 0.81 LGMN (0.54) LGMNALDH1A1MAPTLMNATDP1
SCHEMBL6265731 0.81 L3MBTL3 (0.46) ALDH1A1MAPTMAPK1LMNAHTT
SCHEMBL612022 0.81 LMNA (0.55) LGMNALDH1A1MAPTMAPK1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013006408-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-10 WO disclosed
WO-2013006408-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-10 WO disclosed
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