SCHEMBL6855818

SCHEMBL6855818

Cn1c(=O)c2cc(Cl)ccc2n2c(N3CCC(Cc4ccccc4)CC3)nnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.47
HDAC6 Q9UBN7 1/20 0.46
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
TACR1 P25103 1/20 0.45
MAPT P10636 6/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7462390 0.92 NR3C1 (0.41) NR3C1HDAC6SLC6A2SLC6A4TACR1
SCHEMBL6855739 0.81 TP53 (0.46) MAPTTP53THRB
SCHEMBL6855846 0.81 MAPT (0.46) MAPTTP53THRBALDH1A1HTT
SCHEMBL6855784 0.81 MAPT (0.46) MAPTTP53THRBALDH1A1HTT
SCHEMBL6854165 0.81 MAPT (0.46) MAPTTP53THRBALDH1A1HTT
SCHEMBL6850076 0.81 MAPT (0.46) MAPTTP53THRBALDH1A1HTT
SCHEMBL6854055 0.79 TP53 (0.44) MAPTTP53THRBHTTMEN1
SCHEMBL6854118 0.78 L3MBTL1 (0.56) HDAC6MAPTTP53ALDH1A1HTT
SCHEMBL6855333 0.77 L3MBTL1 (0.55) HDAC6MAPTTP53ALDH1A1HTT
SCHEMBL6853858 0.77 L3MBTL1 (0.55) HDAC6MAPTTP53ALDH1A1HTT

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 4 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
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