SCHEMBL13189116

SCHEMBL13189116

CC[C@H](CN(C)C(=O)[C@H](CCN)NCCNC(=O)c1ccc2cc(Cl)ccc2c1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 2/20 0.39
▸ DRD2 P14416 5/20 0.38
▸ DRD3 P35462 5/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ TMEM97 Q5BJF2 3/20 0.36
▸ SIGMAR1 Q99720 3/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ DRD1 P21728 4/20 0.36
▸ DRD4 P21917 4/20 0.36
▸ DRD5 P21918 4/20 0.36
▸ HTR2C P28335 4/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HAT1 O14929 2/20 0.34
▸ EP300 Q09472 2/20 0.34

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
SCHEMBL13189113 0.93 UTS2R (0.38) UTS2RDRD2DRD3NPC1TMEM97
SCHEMBL13691857 0.87 DRD2 (0.45) UTS2RDRD2DRD3DRD4MEN1
SCHEMBL13691855 0.87 DRD2 (0.45) UTS2RDRD2DRD3DRD4MEN1
SCHEMBL13189114 0.85 PIN1 (0.40) DRD2DRD3NPC1KMT2AHTR1A
SCHEMBL13691859 0.85 OPRK1 (0.43) DRD2DRD3NPC1DRD4HTR1A
SCHEMBL13188836 0.84 NPC1 (0.46) UTS2RDRD2DRD3NPC1TMEM97
SCHEMBL13691762 0.80 NPC1 (0.44) UTS2RDRD2DRD3NPC1TMEM97
SCHEMBL13691763 0.78 TMEM97 (0.46) UTS2RDRD2DRD3NPC1TMEM97
SCHEMBL13188483 0.78 DRD2 (0.44) UTS2RDRD2DRD3DRD4MEN1
SCHEMBL13691779 0.78 DRD2 (0.44) UTS2RDRD2DRD3DRD4MEN1

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-2010096854-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC3 AND/OR MC4 RECEPTORS AND TREATMENT OF CONDITIONS RELATED TO THESE RECEPTORS MIMETICA PTY LTD (AU) 2010-09-02 — — WO disclosed
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