SCHEMBL13188839

SCHEMBL13188839

CN(CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)[C@H](CCCNC(=N)N)NCCNC(=O)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.42
▸ SIGMAR1 Q99720 3/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ DRD2 P14416 4/20 0.39
▸ DRD3 P35462 4/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HDAC3 O15379 5/20 0.39
▸ HDAC4 P56524 5/20 0.39
▸ HDAC1 Q13547 5/20 0.39
▸ HDAC7 Q8WUI4 5/20 0.39
▸ HDAC2 Q92769 5/20 0.39
▸ HDAC10 Q969S8 5/20 0.39
▸ HDAC11 Q96DB2 5/20 0.39
▸ HDAC8 Q9BY41 5/20 0.39
▸ HDAC6 Q9UBN7 5/20 0.39
▸ HDAC9 Q9UKV0 5/20 0.39
▸ HDAC5 Q9UQL6 5/20 0.39
▸ HTR1A P08908 2/20 0.39

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
SCHEMBL13691768 0.85 OPRM1 (0.45) TMEM97SIGMAR1OPRM1DRD2DRD3
SCHEMBL13689530 0.85 OPRM1 (0.42) TMEM97SIGMAR1OPRM1DRD2DRD3
SCHEMBL19474263 0.85 CCKBR (0.43) TMEM97SIGMAR1OPRM1DRD2DRD3
SCHEMBL19474279 0.85 CCKBR (0.43) TMEM97SIGMAR1OPRM1DRD2DRD3
SCHEMBL13691772 0.84 OPRM1 (0.46) TMEM97SIGMAR1OPRM1DRD2DRD3
SCHEMBL13188826 0.83 OPRM1 (0.49) TMEM97SIGMAR1OPRM1DRD2DRD3
SCHEMBL13691769 0.83 OPRM1 (0.46) TMEM97SIGMAR1OPRM1DRD2DRD3
SCHEMBL13190968 0.82 OPRM1 (0.46) TMEM97SIGMAR1OPRM1DRD2DRD3
SCHEMBL13188836 0.82 NPC1 (0.46) TMEM97SIGMAR1OPRM1DRD2DRD3
SCHEMBL13689518 0.82 OPRM1 (0.47) TMEM97SIGMAR1OPRM1HDAC3HDAC4

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-2010096854-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC3 AND/OR MC4 RECEPTORS AND TREATMENT OF CONDITIONS RELATED TO THESE RECEPTORS MIMETICA PTY LTD (AU) 2010-09-02 — — WO disclosed
Send feedback