SCHEMBL4638202

SCHEMBL4638202

CC(C)CC1c2ccc(N3CC[C@H](N)C3=O)cc2CCCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 14/20 0.35
KDM4C Q9H3R0 2/20 0.35
F10 P00742 1/20 0.34
MTNR1A P48039 2/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL5280631 0.94 MTNR1B (0.40) MTNR1BF10MTNR1A
SCHEMBL5278811 0.94 MTNR1B (0.40) MTNR1BF10MTNR1A
SCHEMBL4638364 0.92 SLC6A9 (0.36) MTNR1BMTNR1AITGB2ICAM1ITGAL
SCHEMBL5295500 0.86 MTNR1B (0.39) MTNR1BMTNR1A
SCHEMBL4639209 0.81 MTNR1B (0.41) MTNR1BMTNR1A
SCHEMBL4638198 0.81 DPP4 (0.36) KDM4CF10
SCHEMBL4638122 0.79 SCN9A (0.31) MTNR1B
SCHEMBL5242847 0.79 MTNR1B (0.38) MTNR1BMTNR1A
SCHEMBL4637760 0.79 SLC18A2 (0.36) MTNR1BKDM4CF10
SCHEMBL5241375 0.78 MTNR1B (0.39) MTNR1BMTNR1A

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-1951712-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-08-06 EP disclosed
WO-2007059952-A2 1-BENZAZEPINE-3-SULFONYLAMINO-2-PYRRLORIDONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-05-31 WO disclosed