SCHEMBL13754183

SCHEMBL13754183

CC(C)[C@H]1NC(=O)C(CSSC[C@@H]2NC(=O)[C@@H](C(C)C)NC2=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
MLNR O43193 5/20 0.35
HDAC3 O15379 5/20 0.33
HDAC1 Q13547 5/20 0.33
HDAC2 Q92769 5/20 0.33
NCOR1 O75376 4/20 0.33
HDAC4 P56524 4/20 0.33
HDAC10 Q969S8 4/20 0.33
HDAC11 Q96DB2 4/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
NCOR2 Q9Y618 1/20 0.32
PRKCD Q05655 2/20 0.32
ITGB3 P05106 2/20 0.31
ITGAV P06756 2/20 0.31
ITGA2B P08514 2/20 0.31
ITGB5 P18084 2/20 0.31

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
SCHEMBL4402036 1.00 HRH3 (0.39) HRH3MLNRHDAC3HDAC1HDAC2
SCHEMBL4399705 0.90 HRH3 (0.34) HRH3MLNR
SCHEMBL4399717 0.86 ITGB3 (0.41) HRH3MLNRHDAC1HDAC6HDAC8
SCHEMBL15762025 0.86 ITGB3 (0.41) HRH3MLNRHDAC1HDAC6HDAC8
SCHEMBL16840265 0.86 ITGB3 (0.41) HRH3MLNRHDAC1HDAC6HDAC8
SCHEMBL12019149 0.86 ITGB3 (0.41) HRH3MLNRHDAC1HDAC6HDAC8
SCHEMBL15762029 0.80 HRH3 (0.40) HRH3MLNRHDAC3HDAC1HDAC2
SCHEMBL4402045 0.80 HRH3 (0.40) HRH3MLNRHDAC3HDAC1HDAC2
SCHEMBL13784332 0.80 HRH3 (0.40) HRH3MLNRHDAC3HDAC1HDAC2
SCHEMBL2672144 0.80 HRH3 (0.40) HRH3MLNRHDAC3HDAC1HDAC2

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-2009100431-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2009-08-13 WO disclosed