SCHEMBL17029162

SCHEMBL17029162

Cc1ccc(NC(=O)N2CCCN(c3c(Cl)cncc3C3CC3)CC2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.63
MAPT P10636 5/20 0.60
NPSR1 Q6W5P4 2/20 0.60
ALDH1A1 P00352 1/20 0.60
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 1/20 0.49
CCR2 P41597 2/20 0.47
KCNH2 Q12809 2/20 0.47
CNR2 P34972 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
TP53 P04637 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAPK1 P28482 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
SCHEMBL17029145 0.90 LMNA (0.76) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL16707726 0.90 MAPT (0.58) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL17029175 0.88 LMNA (0.70) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL16707727 0.87 LMNA (0.57) LMNAMAPTNPSR1ALDH1A1L3MBTL1
SCHEMBL17029149 0.86 HTT (0.67) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL17029164 0.85 LMNA (0.69) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL17029189 0.85 LMNA (0.65) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL17029165 0.82 LMNA (0.70) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL16707792 0.81 LMNA (0.65) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL17029148 0.80 L3MBTL1 (0.65) LMNAMAPTNPSR1ALDH1A1HTT

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