SCHEMBL6854444

SCHEMBL6854444

O=c1c2ccccc2n2c(N3CCCCCC3)nnc2n1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MAPT P10636 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 2/20 0.56
HTT P42858 2/20 0.56
TP53 P04637 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
RXFP1 Q9HBX9 2/20 0.48
ADORA1 P30542 2/20 0.46
ADORA2B P29275 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6850112 0.99 ALDH1A1 (0.60) ALDH1A1MAPTL3MBTL1KDM4EHTT
SCHEMBL6853858 0.88 L3MBTL1 (0.55) ALDH1A1MAPTL3MBTL1KDM4EHTT
SCHEMBL6855333 0.88 L3MBTL1 (0.55) ALDH1A1MAPTL3MBTL1KDM4EHTT
SCHEMBL6856567 0.88 L3MBTL1 (0.55) ALDH1A1MAPTL3MBTL1KDM4EHTT
SCHEMBL6853754 0.87 MAPT (0.54) ALDH1A1MAPTL3MBTL1KDM4EHTT
SCHEMBL6855314 0.87 MAPT (0.54) ALDH1A1MAPTL3MBTL1KDM4EHTT
SCHEMBL6854145 0.87 L3MBTL1 (0.47) ALDH1A1MAPTL3MBTL1KDM4EHTT
SCHEMBL6850007 0.87 L3MBTL1 (0.47) ALDH1A1MAPTL3MBTL1KDM4EHTT
SCHEMBL6853806 0.87 L3MBTL1 (0.47) ALDH1A1MAPTL3MBTL1KDM4EHTT
SCHEMBL6854118 0.87 L3MBTL1 (0.56) ALDH1A1MAPTL3MBTL1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US claimed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP claimed
JP-2002543199-A 2002-12-17 JP claimed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP claimed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO claimed
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP disclosed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP disclosed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO disclosed