SCHEMBL13689526

SCHEMBL13689526

Cc1ccc(C(=O)NCCN[C@@H](CCCN2CCCCC2)C(=O)N(C)CC(c2ccccc2)c2ccccc2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMYD2 Q9NRG4 5/20 0.45
▸ POLB P06746 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ MCHR1 Q99705 4/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ CACNA1G O43497 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL13689521 0.89 OPRK1 (0.51) SMYD2EPHX2DRD2DRD3
SCHEMBL13691797 0.89 DRD2 (0.54) DRD2DRD3KMT2AMEN1
SCHEMBL13691798 0.86 SMYD2 (0.47) SMYD2POLBEPHX2DRD2DRD3
SCHEMBL13190976 0.84 OPRK1 (0.52) SMYD2EPHX2CACNA1G
SCHEMBL13691863 0.82 TACR2 (0.49) SMYD2
SCHEMBL13689531 0.80 DRD3 (0.52) DRD2DRD3KMT2A
SCHEMBL13190970 0.77 DRD2 (0.51) DRD2DRD3
SCHEMBL13691800 0.77 OPRK1 (0.49) KMT2A
SCHEMBL13689520 0.76 DRD3 (0.49) DRD2DRD3
SCHEMBL13691769 0.76 OPRM1 (0.46) DRD2DRD3KMT2AMEN1

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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