SCHEMBL7535944

SCHEMBL7535944

CCCCN(C(=O)c1nc2ccccc2o1)C(=O)C1(NC(=O)c2ccc(N(C)C)cc2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
TRPV1 Q8NER1 7/20 0.38
HDAC6 Q9UBN7 2/20 0.37
FAAH O00519 3/20 0.36
CES1 P23141 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CTSK P43235 1/20 0.35
GFER P55789 1/20 0.35
XDH P47989 1/20 0.35

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
SCHEMBL7533002 0.90 FAAH (0.38) CTSSCTSLFAAHCES1KMT2A
SCHEMBL7535316 0.89 CTSL (0.40) CTSBCTSSCTSLTRPV1FAAH
SCHEMBL7530295 0.89 FAAH (0.35) CTSBCTSSCTSLFAAHCES1
SCHEMBL7529863 0.88 TACR2 (0.38) CTSBCTSSCTSLFAAHCES1
SCHEMBL7532248 0.86 CTSL (0.47) MAPTCTSBCTSSCTSLCTSK
SCHEMBL7536589 0.86 SMN1; SMN2 (0.41) MAPTCTSSFAAHCES1HDAC3
SCHEMBL7531988 0.85 SLC6A5 (0.42) MAPTHDAC3HDAC2
SCHEMBL7531423 0.85 CTSL (0.39) MAPTCTSBCTSSCTSLFAAH
SCHEMBL7530243 0.84 LMNA (0.40) CTSBCTSSFAAHCES1CTSK
SCHEMBL7531161 0.84 CTSL (0.47) CTSBCTSSCTSLFAAHCES1

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
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed