SCHEMBL2170925

SCHEMBL2170925

CCC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 9/20 0.73
MTNR1A P48039 6/20 0.73
FNTA P49354 1/20 0.65
FNTB P49356 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 2/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RNF4 P78317 1/20 0.55
ALDH1A1 P00352 4/20 0.52
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL31703396 0.87 RNF4 (0.73) MTNR1BMTNR1AFNTAFNTBL3MBTL1
SCHEMBL31703433 0.86 FNTA (0.62) MTNR1BMTNR1AFNTAFNTBL3MBTL1
SCHEMBL11645642 0.86 FNTA (0.62) MTNR1BMTNR1AFNTAFNTBRNF4
SCHEMBL2171671 0.85 L3MBTL1 (0.68) MTNR1BMTNR1AFNTAFNTBL3MBTL1
SCHEMBL8142314 0.84 MTNR1B (1.00) MTNR1BMTNR1AL3MBTL1TSHRHPGD
SCHEMBL31704006 0.84 MTNR1B (0.71) MTNR1BMTNR1AFNTAFNTBHPGD
SCHEMBL2173035 0.84 MTNR1A (0.73) MTNR1BMTNR1AL3MBTL1TSHRHPGD
SCHEMBL11827952 0.82 ALDH1A1 (0.57) MTNR1BMTNR1AFNTAFNTBSMN1; SMN2
SCHEMBL4126168 0.79 RAB9A (0.67) L3MBTL1TSHRHPGDSMN1; SMN2ALDH1A1
SCHEMBL11648371 0.78 XIAP (0.63) MTNR1BMTNR1AFNTAFNTBL3MBTL1

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
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed