SCHEMBL5741306

SCHEMBL5741306

CN(C)CCCOc1c[c]c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.50
HTR1B P28222 2/20 0.46
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
SLC2A1 P11166 1/20 0.43
APOBEC3A P31941 1/20 0.43
RAD52 P43351 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
HRH4 Q9H3N8 1/20 0.41
LSS P48449 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
HTR7 P34969 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HRH1 P35367 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9479921 0.79 KDM4E (0.41) NPC1POLBSLC2A1RAD52RAB9A
SCHEMBL4767346 0.74 TOP2A (0.50) TOP2AHTR1BNPC1POLBSLC2A1
SCHEMBL4477607 0.73 POLB (0.47) NPC1POLBRAD52RAB9AKMT2A
SCHEMBL7529925 0.71 HTR7 (0.64) TOP2AHTR1BLSSHRH3HTR7
SCHEMBL22837810 0.68 LSS (0.50) TOP2AHTR1BLSSHTR7HRH1
SCHEMBL29969134 0.68 LSS (0.50) TOP2AHTR1BLSSHTR7HRH1
SCHEMBL4009617 0.67 PIM1 (0.37)
SCHEMBL18949729 0.67 HTT (0.56) TOP2AHTR1BHTR7DRD3HRH1
SCHEMBL11578564 0.66 HTR7 (0.62) TOP2AHTR1BKMT2ALSSHTR7
SCHEMBL14108022 0.66 HTR7 (0.57) TOP2AHTR1BLSSHRH3HTR7

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
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed