SCHEMBL6981215

SCHEMBL6981215

CN(C)CCN(C)c1nccc(C(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
KDM4E B2RXH2 3/20 0.42
KDM5A P29375 3/20 0.42
JMJD1C Q15652 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HCRTR1 O43613 11/20 0.38
HCRTR2 O43614 11/20 0.38
KDM5B Q9UGL1 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5C P41229 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
F12 P00748 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
SCHEMBL6982223 0.81 CYP1A2 (0.50) HRH3KDM4EKDM5AALDH1A1MTNR1A
SCHEMBL6325352 0.79 KDM4E (0.55) KDM4EKDM5AJMJD1CKDM3AALDH1A1
SCHEMBL1870806 0.77 CAMK2D (0.47) HRH3KDM4EKDM5AALDH1A1KDM5B
SCHEMBL17846703 0.77 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL7214552 0.75 TDP1 (0.51) KDM4EKDM5AJMJD1CKDM3AALDH1A1
SCHEMBL2638747 0.74 KDM4E (0.50) HRH3KDM4EHCRTR1HCRTR2ALOX15
SCHEMBL13806027 0.74 HRH3 (0.51) HRH3MTNR1AMTNR1BHCRTR1HCRTR2
SCHEMBL29825918 0.72 KDM4E (0.47) KDM4EKDM5AJMJD1CKDM3AALDH1A1
SCHEMBL6982188 0.71 ALDH1A1 (0.61) KDM4EKDM5AALDH1A1KDM5BALOX15
SCHEMBL19700744 0.71 MTNR1A (0.42) KDM5AALDH1A1MTNR1AMTNR1BHCRTR1

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
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP claimed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO claimed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed