SCHEMBL16612850

SCHEMBL16612850

Cc1ccc(OCCn2c[c]c(C(N)=O)n2)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP4F2 P78329 1/20 0.34
KDM1A O60341 1/20 0.34
NNMT P40261 3/20 0.33
HCRTR1 O43613 2/20 0.31
HTR1A P08908 1/20 0.31
P2RX3 P56373 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
CHEK2 O96017 1/20 0.31
ATM Q13315 2/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL16613011 0.86 HCRTR2 (0.36) HCRTR2KDM1ANNMTHCRTR1HTR1A
SCHEMBL16612877 0.84 HCRTR2 (0.35) HCRTR2
SCHEMBL16612990 0.82 HCRTR2 (0.39) HCRTR2ALDH1A1HCRTR1
SCHEMBL16612782 0.80 HCRTR2 (0.39) HCRTR2KDM1AHCRTR1HTR1A
SCHEMBL16612841 0.80 MAPT (0.40) HCRTR2KDM4EALDH1A1LMNAHPGD
SCHEMBL16612935 0.80 HCRTR2 (0.38) HCRTR2HCRTR1
SCHEMBL16613039 0.77 MEN1 (0.46) HCRTR2KDM4EALDH1A1HSD17B10HCRTR1
SCHEMBL16612786 0.74 PKM (0.54) HCRTR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL16612712 0.74 HCRTR2 (0.38) HCRTR2ALDH1A1NNMTHCRTR1LMNA
SCHEMBL16612738 0.73 HCRTR2 (0.36) HCRTR2

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-2675801-B1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-04-08 EP disclosed