SCHEMBL6854901

SCHEMBL6854901

C=CCn1c(=O)c2cc(Cl)ccc2n2c(N3CCCCCC3)nnc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PLK1 P53350 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
RAD52 P43351 1/20 0.36
NLRP1 Q9C000 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 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
SCHEMBL6850089 0.86 PLK1 (0.44) ALDH1A1LMNAHSD17B10MAPTL3MBTL1
SCHEMBL6853905 0.85 L3MBTL1 (0.47) ALDH1A1LMNAHTTMAPTL3MBTL1
SCHEMBL6850015 0.84 MCHR1 (0.40) ALDH1A1NPSR1LMNAHTTTSHR
SCHEMBL6850019 0.84 MCHR1 (0.40) ALDH1A1NPSR1LMNAHTTTSHR
SCHEMBL6855333 0.83 L3MBTL1 (0.55) ALDH1A1LMNAHTTTSHRHSD17B10
SCHEMBL6853858 0.83 L3MBTL1 (0.55) ALDH1A1LMNAHTTTSHRHSD17B10
SCHEMBL6856185 0.82 L3MBTL1 (0.45) ALDH1A1LMNAHTTMAPTL3MBTL1
SCHEMBL6854118 0.82 L3MBTL1 (0.56) ALDH1A1LMNAHTTTSHRHSD17B10
SCHEMBL6855322 0.82 ALDH1A1 (0.48) ALDH1A1NPSR1LMNAHTTMAPT
SCHEMBL6850175 0.82 L3MBTL1 (0.44) ALDH1A1NPSR1LMNAHTTTSHR

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 10 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-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
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