SCHEMBL3344320

SCHEMBL3344320

Cc1nc(C(=O)N2CCOC2CN)c(-c2ccccc2)o1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.47
HCRTR2 O43614 9/20 0.39
LMNA P02545 1/20 0.37
FPR2 P25090 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
POLB P06746 1/20 0.33
ADRB2 P07550 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3344469 0.90 HCRTR1 (0.50) HCRTR1HCRTR2FPR2
SCHEMBL3344316 0.84 HCRTR1 (0.46) HCRTR1HCRTR2FPR2ALDH1A1KDM4E
SCHEMBL2056723 0.80 HCRTR1 (0.46) HCRTR1HCRTR2FPR2ALDH1A1KDM4E
SCHEMBL3344465 0.76 HCRTR1 (0.51) HCRTR1HCRTR2FPR2
SCHEMBL2636011 0.74 HCRTR1 (0.44) HCRTR1HCRTR2FPR2ALDH1A1KDM4E
SCHEMBL3348074 0.72 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3350904 0.72 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2057193 0.70 HCRTR1 (0.49) HCRTR1HCRTR2FPR2
SCHEMBL1167223 0.70 MAPK13 (0.50) HCRTR1LMNAALDH1A1KDM4EMAPK13
SCHEMBL3343787 0.69 HCRTR1 (0.51) HCRTR1HCRTR2

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
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO claimed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO disclosed