SCHEMBL6586731

SCHEMBL6586731

Cc1cc(Cl)c2c(F)ccc(F)c2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CRHR1 P34998 4/20 0.44
NR4A2 P43354 4/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.38
AGTR1 P30556 1/20 0.37
CD38 P28907 3/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL1563835 0.86 MAPT (0.41) MAPTL3MBTL1CRHR1NR4A2MEN1
SCHEMBL2871982 0.83 MAPT (0.57) MAPTL3MBTL1CRHR1NR4A2KMT2A
SCHEMBL3051550 0.78 MAPT (0.60) MAPTL3MBTL1CRHR1NR4A2MEN1
SCHEMBL6590908 0.77 METAP2 (0.36) MAPTL3MBTL1KMT2A
SCHEMBL439728 0.77 NR4A2 (0.42) MAPTNR4A2LMNA
SCHEMBL2937315 0.76 MAPT (0.49) MAPTL3MBTL1CRHR1MEN1KMT2A
SCHEMBL17825675 0.74 LMNA (0.38) CRHR1MEN1KMT2ALMNACYP3A4
SCHEMBL8123570 0.72 GPR35 (0.49)
SCHEMBL9730943 0.71 MAPT (0.47) MAPTL3MBTL1CRHR1NR4A2LMNA
SCHEMBL331909 0.71 TDP1 (0.33) MAPTMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed