SCHEMBL17029152

SCHEMBL17029152

Cc1ccc(NC(=O)N2CCCN(c3ccncc3C)CC2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
HTT P42858 1/20 0.63
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
LMNA P02545 2/20 0.54
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TRPV1 Q8NER1 4/20 0.50
CNR2 P34972 1/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CCR2 P41597 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL17029148 0.95 L3MBTL1 (0.65) L3MBTL1HTTKMT2AMEN1LMNA
SCHEMBL16707655 0.92 MAPT (0.60) L3MBTL1HTTKMT2AMEN1LMNA
SCHEMBL17029177 0.89 HTT (0.57) L3MBTL1HTTKMT2AMEN1LMNA
SCHEMBL17029149 0.86 HTT (0.67) L3MBTL1HTTKMT2AMEN1LMNA
SCHEMBL17029153 0.84 HTT (0.62) L3MBTL1HTTKMT2AMEN1LMNA
SCHEMBL17029151 0.84 HTT (0.62) L3MBTL1HTTKMT2AMEN1LMNA
SCHEMBL17029175 0.84 LMNA (0.70) L3MBTL1HTTKMT2AMEN1LMNA
SCHEMBL17029145 0.84 LMNA (0.76) L3MBTL1HTTKMT2AMEN1LMNA
SCHEMBL17029163 0.83 HTT (0.63) L3MBTL1HTTKMT2AMEN1LMNA
SCHEMBL16707656 0.83 MAPT (0.65) L3MBTL1HTTKMT2AMEN1LMNA

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