SCHEMBL13689546

SCHEMBL13689546

CC[C@@H](CN(CC)C(=O)[C@H](CCN1CCCCC1)NCCNC(=O)c1ccc2cc(Cl)ccc2c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.44
▸ DRD3 P35462 6/20 0.44
▸ HTR1A P08908 2/20 0.41
▸ UTS2R Q9UKP6 4/20 0.41
▸ SLC6A4 P31645 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ AHCY P23526 1/20 0.40
▸ ADRA1A P35348 3/20 0.40
▸ CCR1 P32246 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ MC4R P32245 1/20 0.38
▸ MC5R P33032 1/20 0.38
▸ MC3R P41968 1/20 0.38
▸ MC1R Q01726 1/20 0.38

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
SCHEMBL13691778 1.00 DRD2 (0.44) DRD2DRD3HTR1AUTS2RSLC6A4
SCHEMBL19474295 1.00 DRD2 (0.44) DRD2DRD3HTR1AUTS2RSLC6A4
SCHEMBL13691779 1.00 DRD2 (0.44) DRD2DRD3HTR1AUTS2RSLC6A4
SCHEMBL13188483 1.00 DRD2 (0.44) DRD2DRD3HTR1AUTS2RSLC6A4
SCHEMBL19474294 0.94 DRD2 (0.43) DRD2DRD3HTR1AUTS2RSLC6A4
SCHEMBL19474293 0.94 DRD2 (0.43) DRD2DRD3HTR1AUTS2RSLC6A4
SCHEMBL15372756 0.93 DRD2 (0.42) DRD2DRD3HTR1AUTS2RSLC6A4
SCHEMBL13691855 0.92 DRD2 (0.45) DRD2DRD3HTR1AUTS2RSLC6A4
SCHEMBL13691857 0.91 DRD2 (0.45) DRD2DRD3HTR1AUTS2RSLC6A4
SCHEMBL13691859 0.84 OPRK1 (0.43) DRD2DRD3HTR1ASLC6A4ADRA1A

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-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
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