SCHEMBL13689393

SCHEMBL13689393

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.42
▸ TMEM97 Q5BJF2 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ OPRD1 P41143 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ PADI6 Q6TGC4 1/20 0.41
▸ PADI4 Q9UM07 1/20 0.41
▸ PADI2 Q9Y2J8 1/20 0.41
▸ HDAC3 O15379 7/20 0.40
▸ HDAC1 Q13547 7/20 0.40
▸ HDAC2 Q92769 6/20 0.40
▸ HDAC4 P56524 5/20 0.40
▸ HDAC7 Q8WUI4 5/20 0.40
▸ HDAC10 Q969S8 5/20 0.40
▸ HDAC11 Q96DB2 5/20 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
SCHEMBL13190968 0.86 OPRM1 (0.46) OPRM1TMEM97SIGMAR1OPRD1RAB9A
SCHEMBL13188832 0.84 OPRM1 (0.38) OPRM1TMEM97SIGMAR1OPRD1RAB9A
SCHEMBL13689532 0.79 DRD4 (0.36) OPRM1TMEM97SIGMAR1HDAC3HDAC1
SCHEMBL13190965 0.78 CTSL (0.45) PLAU
SCHEMBL13689529 0.78 ITGB3 (0.37) OPRM1TMEM97SIGMAR1HDAC3HDAC1
SCHEMBL13188826 0.74 OPRM1 (0.49) OPRM1TMEM97SIGMAR1HDAC3HDAC1
SCHEMBL13689518 0.72 OPRM1 (0.47) OPRM1TMEM97SIGMAR1HDAC3HDAC1
SCHEMBL8512961 0.72 MCHR1 (0.42) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL13691793 0.72 NPC1 (0.47) OPRM1TMEM97SIGMAR1OPRD1RAB9A
SCHEMBL13188835 0.72 OPRM1 (0.44) OPRM1TMEM97SIGMAR1HDAC3HDAC1

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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