SCHEMBL6231126

SCHEMBL6231126

Nc1n[nH]c(-c2ccccc2F)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.42
KDM1A O60341 5/20 0.41
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
BRD4 O60885 1/20 0.41
FEN1 P39748 3/20 0.40
ALOX5AP P20292 2/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PRKDC P78527 2/20 0.40
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MPO P05164 1/20 0.39
LTA4H P09960 1/20 0.39
MAPK14 Q16539 1/20 0.39
ILK Q13418 1/20 0.39

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
SCHEMBL6230832 0.81 PTGER1 (0.44) BRD4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4715742 0.75 KDM4E (0.44) BRD4POLBMAPTRAB9ASMN1; SMN2
SCHEMBL3407002 0.71 KDM1A (0.57) KDM1AMAOAMAOBFEN1ALOX5AP
SCHEMBL1384264 0.69 BRD4 (0.42) KDM1AMAOAMAOBBRD4HTR1A
SCHEMBL26942219 0.69 KDM1A (0.61) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL14882717 0.67 KDM1A (0.60) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL8316680 0.67 MAOB (0.55) KDM1AMAOAMAOBSLC6A2SLC6A3
SCHEMBL5065124 0.66 KDM1A (0.52) KDM1AMAOAMAOBFEN1ALOX5AP
SCHEMBL4308528 0.66 KDM1A (0.56) KDM1AMAOAMAOBFEN1ALOX5AP
SCHEMBL3785631 0.65 L3MBTL1 (0.46) KDM1AMAOAMAOBFEN1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003076443-A9 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2005-01-20 WO disclosed
EP-1483266-A1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-12-08 EP disclosed
WO-2003076443-A1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 WO disclosed