SCHEMBL6187732

SCHEMBL6187732

CCCCOC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.57
ACE P12821 4/20 0.57
CPA1 P15085 2/20 0.57
ACE2 Q9BYF1 2/20 0.57
CTSB P07858 2/20 0.55
CTSS P25774 2/20 0.55
CTSL P07711 1/20 0.55
ITGB3 P05106 8/20 0.51
ITGA2B P08514 8/20 0.51
ITGB1 P05556 1/20 0.51
ITGA4 P13612 1/20 0.51
PIN1 Q13526 2/20 0.50
CA2 P00918 1/20 0.50
CTSK P43235 1/20 0.50

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
SCHEMBL6268181 1.00 MME (0.57) MMEACECPA1ACE2CTSB
SCHEMBL6190124 0.91 HDAC1 (0.53) MMEACECPA1ACE2CTSB
SCHEMBL2185240 0.86 ITGB3 (0.58) MMEACECPA1ACE2CTSS
SCHEMBL844471 0.86 ITGB3 (0.58) MMEACECPA1ACE2CTSS
SCHEMBL7758997 0.86 ITGB3 (0.58) MMEACECPA1ACE2CTSS
SCHEMBL6020166 0.86 CTSS (0.76) CTSBCTSSCTSLCTSK
SCHEMBL3927408 0.86 ACE (0.60) MMEACECPA1ACE2ITGB3
SCHEMBL15201783 0.85 MME (0.61) MMEACECPA1ACE2ITGB3
SCHEMBL9936982 0.85 MME (0.61) MMEACECPA1ACE2ITGB3
SCHEMBL757454 0.84 MME (0.62) MMEACECPA1ACE2CTSB

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
EP-1572669-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-14 EP disclosed
WO-2004048345-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-06-10 WO disclosed