SCHEMBL17029153

SCHEMBL17029153

Cc1ccc(NC(=O)N2CCCN(c3ccnc(C)c3Cl)CC2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
TRPV1 Q8NER1 2/20 0.52
CNR2 P34972 1/20 0.49
LMNA P02545 2/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
STS P08842 1/20 0.48
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.47
NOD2 Q9HC29 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
SCHEMBL17029151 0.92 HTT (0.62) HTTL3MBTL1KMT2AMEN1TRPV1
SCHEMBL16707662 0.91 MAPT (0.60) HTTL3MBTL1KMT2AMEN1TRPV1
SCHEMBL17029148 0.85 L3MBTL1 (0.65) HTTL3MBTL1KMT2AMEN1TRPV1
SCHEMBL17029152 0.84 L3MBTL1 (0.63) HTTL3MBTL1KMT2AMEN1TRPV1
SCHEMBL17029150 0.82 HTT (0.63) HTTL3MBTL1KMT2AMEN1TRPV1
SCHEMBL17029163 0.82 HTT (0.63) HTTL3MBTL1KMT2AMEN1TRPV1
SCHEMBL16707661 0.81 MAPT (0.63) HTTL3MBTL1KMT2AMEN1TRPV1
SCHEMBL17029177 0.81 HTT (0.57) HTTL3MBTL1KMT2AMEN1TRPV1
SCHEMBL17230444 0.79 MAPT (0.60) HTTL3MBTL1KMT2AMEN1TRPV1
SCHEMBL17029149 0.79 HTT (0.67) HTTL3MBTL1KMT2AMEN1TRPV1

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