SCHEMBL13190965

SCHEMBL13190965

CC(CNC(=O)c1ccc2ccccc2c1)N[C@@H](CCCNC(=N)N)C(=O)NCCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.45
▸ CTSS P25774 2/20 0.45
▸ CTSK P43235 1/20 0.45
▸ METAP2 P50579 2/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ BCHE P06276 2/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ FURIN P09958 1/20 0.39
▸ LDLR P01130 1/20 0.39
▸ NMT2 O60551 6/20 0.38
▸ NMT1 P30419 6/20 0.38
▸ PLAU P00749 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRM1 Q13255 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
SCHEMBL13689393 0.78 OPRM1 (0.42) PLAU
SCHEMBL13188849 0.77 OPRM1 (0.42) CTSLCTSSCTSKMETAP2METAP1
SCHEMBL13689529 0.77 ITGB3 (0.37) CTSLCTSSCTSKFURINGRIN1
SCHEMBL13188832 0.75 OPRM1 (0.38) —
SCHEMBL13689532 0.75 DRD4 (0.36) FURIN
SCHEMBL13691765 0.72 NPC1 (0.44) METAP2METAP1
SCHEMBL8512961 0.71 MCHR1 (0.42) METAP2METAP1
SCHEMBL13402577 0.70 EPHX1 (0.46) —
SCHEMBL7549487 0.69 NPY4R (0.46) METAP2
SCHEMBL8515668 0.68 HDAC1 (0.45) —

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-2010096853-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC1 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2010-09-02 — — WO disclosed
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