SCHEMBL13689518

SCHEMBL13689518

CN(CCc1ccc2ccccc2c1)C(=O)[C@H](CCCNC(=N)N)NCCNC(=O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.47
▸ TMEM97 Q5BJF2 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ HDAC3 O15379 6/20 0.41
▸ HDAC1 Q13547 6/20 0.41
▸ HDAC4 P56524 5/20 0.41
▸ HDAC7 Q8WUI4 5/20 0.41
▸ HDAC2 Q92769 5/20 0.41
▸ HDAC10 Q969S8 5/20 0.41
▸ HDAC11 Q96DB2 5/20 0.41
▸ HDAC8 Q9BY41 5/20 0.41
▸ HDAC6 Q9UBN7 5/20 0.41
▸ HDAC9 Q9UKV0 5/20 0.41
▸ HDAC5 Q9UQL6 5/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ F10 P00742 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ F7 P08709 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ MC3R P41968 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
SCHEMBL13188826 0.91 OPRM1 (0.49) OPRM1TMEM97SIGMAR1HDAC3HDAC1
SCHEMBL13190968 0.85 OPRM1 (0.46) OPRM1TMEM97SIGMAR1HDAC3HDAC1
SCHEMBL13188849 0.85 OPRM1 (0.42) OPRM1TMEM97SIGMAR1HDAC3HDAC1
SCHEMBL13188835 0.84 OPRM1 (0.44) OPRM1TMEM97SIGMAR1HDAC3HDAC1
SCHEMBL13190973 0.83 OPRM1 (0.41) OPRM1TMEM97SIGMAR1HDAC3HDAC1
SCHEMBL13188839 0.82 TMEM97 (0.42) OPRM1TMEM97SIGMAR1HDAC3HDAC1
SCHEMBL13190977 0.81 OPRM1 (0.39) OPRM1TMEM97SIGMAR1HDAC3HDAC1
SCHEMBL13689530 0.81 OPRM1 (0.42) OPRM1TMEM97SIGMAR1HDAC3HDAC1
SCHEMBL19474279 0.79 CCKBR (0.43) OPRM1TMEM97SIGMAR1HDAC3HDAC1
SCHEMBL19474263 0.79 CCKBR (0.43) 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 2 patents. 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
WO-2009105823-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
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