SCHEMBL17029149

SCHEMBL17029149

Cc1ccc(NC(=O)N2CCCN(c3c(C)cncc3C)CC2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
LMNA P02545 3/20 0.66
MAPT P10636 6/20 0.62
NPSR1 Q6W5P4 2/20 0.62
ALDH1A1 P00352 1/20 0.62
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
CNR2 P34972 1/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.51
TRPV1 Q8NER1 1/20 0.48
MAPK1 P28482 1/20 0.48
NOD2 Q9HC29 1/20 0.48
CCR2 P41597 1/20 0.48
KCNH2 Q12809 1/20 0.48
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL17029175 0.96 LMNA (0.70) HTTL3MBTL1LMNAMAPTNPSR1
SCHEMBL17029145 0.93 LMNA (0.76) HTTL3MBTL1LMNAMAPTNPSR1
SCHEMBL16707664 0.92 MAPT (0.64) HTTL3MBTL1LMNAMAPTNPSR1
SCHEMBL17029164 0.89 LMNA (0.69) HTTL3MBTL1LMNAMAPTNPSR1
SCHEMBL16707792 0.88 LMNA (0.65) HTTL3MBTL1LMNAMAPTNPSR1
SCHEMBL17029189 0.88 LMNA (0.65) HTTL3MBTL1LMNAMAPTNPSR1
SCHEMBL17029152 0.86 L3MBTL1 (0.63) HTTL3MBTL1LMNAMAPTNPSR1
SCHEMBL17029162 0.86 LMNA (0.63) HTTL3MBTL1LMNAMAPTNPSR1
SCHEMBL17029165 0.85 LMNA (0.70) HTTL3MBTL1LMNAMAPTNPSR1
SCHEMBL17029148 0.85 L3MBTL1 (0.65) HTTL3MBTL1LMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115113-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2015-08-25 US disclosed