SCHEMBL6854863

SCHEMBL6854863

O=c1c2ccccc2n2c(N3CCCCCC3)nnc2n1CC=Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
CCR3 P51677 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6854858 1.00 MAPT (0.42) MAPTALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL6856532 0.88 PLK1 (0.38) MAPTALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL6855779 0.88 PLK1 (0.38) MAPTALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL6856865 0.88 MAPT (0.40) MAPTALDH1A1HSD17B10SMN1; SMN2NPSR1
SCHEMBL6856860 0.88 MAPT (0.40) MAPTALDH1A1HSD17B10SMN1; SMN2NPSR1
SCHEMBL6850015 0.88 MCHR1 (0.40) MAPTALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL6856178 0.88 PLK1 (0.38) MAPTALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL6854856 0.88 MAPT (0.40) MAPTHSD17B10SMN1; SMN2NPSR1LMNA
SCHEMBL6856530 0.88 PLK1 (0.38) MAPTALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL6854862 0.88 MAPT (0.40) MAPTHSD17B10SMN1; SMN2NPSR1LMNA

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 7 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
WO-2000066584-B1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2001-02-15 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