SCHEMBL13189113

SCHEMBL13189113

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 1/20 0.38
▸ DRD2 P14416 6/20 0.37
▸ DRD3 P35462 6/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DRD1 P21728 3/20 0.35
▸ DRD4 P21917 3/20 0.35
▸ DRD5 P21918 3/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ GCGR P47871 1/20 0.35
▸ GIPR P48546 1/20 0.35
▸ AHCY P23526 1/20 0.35
▸ GPR139 Q6DWJ6 3/20 0.35
▸ MEN1 O00255 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
SCHEMBL13189116 0.93 UTS2R (0.39) UTS2RDRD2DRD3NPC1OPRM1
SCHEMBL13691857 0.88 DRD2 (0.45) UTS2RDRD2DRD3HTR1ADRD4
SCHEMBL13691855 0.88 DRD2 (0.45) UTS2RDRD2DRD3HTR1ADRD4
SCHEMBL13189114 0.86 PIN1 (0.40) DRD2DRD3NPC1HTR1ARAB9A
SCHEMBL13691859 0.86 OPRK1 (0.43) DRD2DRD3NPC1HTR1ARAB9A
SCHEMBL13189117 0.81 GCGR (0.37) UTS2RDRD2DRD3OPRM1TMEM97
SCHEMBL13691769 0.79 OPRM1 (0.46) DRD2DRD3NPC1OPRM1TMEM97
SCHEMBL13691853 0.79 MAPT (0.44) UTS2RDRD2DRD3SMN1; SMN2MEN1
SCHEMBL13188483 0.79 DRD2 (0.44) UTS2RDRD2DRD3HTR1ADRD4
SCHEMBL13691779 0.79 DRD2 (0.44) UTS2RDRD2DRD3HTR1ADRD4

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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