SCHEMBL4637760

SCHEMBL4637760

CC(C)CC1CN(C(=O)O)CCc2cc(N3CC[C@H](N)C3=O)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 6/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SCN1A P35498 1/20 0.36
HTR2B P41595 1/20 0.36
MTOR P42345 1/20 0.36
SCN2A Q99250 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SCN3A Q9NY46 1/20 0.36
F10 P00742 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
MEN1 O00255 1/20 0.32

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 0.82 MTNR1B (0.40) F10MTNR1B
SCHEMBL5278811 0.82 MTNR1B (0.40) F10MTNR1B
SCHEMBL4637685 0.81 NR1H2 (0.39) SLC18A2KDM4EABCB11ALDH1A1POLB
SCHEMBL4637755 0.81 F10 (0.35) F10LIPE
SCHEMBL4638202 0.79 MTNR1B (0.35) F10KDM4CMTNR1B
SCHEMBL2124647 0.78 ESR1 (0.44) SLC18A2KDM4EABCB11ALDH1A1POLB
SCHEMBL5295500 0.77 MTNR1B (0.39) MTNR1B
SCHEMBL5170176 0.76 SLC18A2 (0.36) SLC18A2KDM4EABCB11ALDH1A1POLB
SCHEMBL5170187 0.75 SLC18A2 (0.36) SLC18A2KDM4EABCB11ALDH1A1POLB
SCHEMBL5551732 0.75 MTNR1B (0.50) SLC18A2KDM4EABCB11ALDH1A1POLB

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