SCHEMBL5539722

SCHEMBL5539722

CCCn1c(-c2ccc3ccccc3c2)nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.69
ALDH1A1 P00352 6/20 0.69
GAA P10253 2/20 0.69
LMNA P02545 2/20 0.69
TSHR P16473 2/20 0.69
NPSR1 Q6W5P4 1/20 0.69
MAPT P10636 2/20 0.67
TP53 P04637 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
CYP11B1 P15538 1/20 0.56
HSD17B10 Q99714 3/20 0.56
HPGD P15428 3/20 0.56
POLB P06746 1/20 0.54
RECQL P46063 1/20 0.53
HTT P42858 1/20 0.52
CASR P41180 1/20 0.51
GRM5 P41594 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
SCHEMBL14785734 0.87 MAPT (0.82) KDM4EALDH1A1GAALMNATSHR
SCHEMBL19275979 0.84 KDM4E (0.74) KDM4EALDH1A1GAALMNATSHR
SCHEMBL227741 0.83 KDM4E (0.74) KDM4EALDH1A1GAALMNATSHR
SCHEMBL30496676 0.82 KDM4E (1.00) KDM4EALDH1A1GAALMNATSHR
SCHEMBL27154648 0.81 KDM4E (0.71) KDM4EALDH1A1GAALMNATSHR
SCHEMBL20715593 0.81 MAPT (0.73) KDM4EALDH1A1GAALMNATSHR
SCHEMBL5310612 0.81 KDM4E (0.78) KDM4EALDH1A1GAALMNATSHR
SCHEMBL3633839 0.80 MAPT (0.67) KDM4EALDH1A1GAALMNATSHR
SCHEMBL14363381 0.80 KDM4E (0.52) KDM4EALDH1A1GAALMNATSHR
SCHEMBL20736552 0.80 MAPT (0.53) KDM4EALDH1A1GAALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217800-B2 Peptide leukotriene receptor ASTELLAS PHARMA INC. (JP) 2007-05-15 US disclosed
EP-1614425-A2 Leukotriene receptor antagonist Astellas Pharma Inc. (JP) 2006-01-11 EP disclosed
EP-1213353-B1 PEPTIDE LEUKOTRIENE RECEPTOR ASTELLAS PHARMA INC (JP) 2005-11-16 EP disclosed
US-6878525-B1 Peptide leukotriene receptor YAMANOUCHI PHARMACEUTICAL CO, LTD. (JP) 2005-04-12 US disclosed
US-20050037968-A1 Peptide leukotriene receptor YAMANOUCHI PHARMACEUTICAL CO., LTD., HELIX RESEARCH INSTITUTE 2005-02-17 US disclosed
EP-1213353-A1 PEPTIDE LEUKOTRIENE RECEPTOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2002-06-12 EP disclosed