SCHEMBL6560917

SCHEMBL6560917

CCCC(C)C(=O)NC1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
PNMT P11086 8/20 0.47
ADRA2A P08913 5/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47
DPP7 Q9UHL4 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL6561214 0.81 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL6558753 0.80 CA12 (0.61) CA1CA2CA12CA7CA9
SCHEMBL6561215 0.80 GRM7 (0.60) CA1CA2CA12CA7CA9
SCHEMBL3803914 0.79 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL8008337 0.79 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL8370641 0.77 PNMT (0.49) PNMTADRA2AADRA2BADRA2C
SCHEMBL27744228 0.75 ADRA2A (0.50) CA1CA2CA12CA7CA9
SCHEMBL8884861 0.74 GAA (0.43) GAACA1CA2CA12CA7
SCHEMBL4736399 0.73 GRIN2B (0.48) GAAPNMTADRA2AADRA2BADRA2C
SCHEMBL4736395 0.73 GRIN2B (0.48) GAAPNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091946-B1 NEW 2-AMINOTHIAZOL-FUSED 2-AMINOINDANS AND 2-AMINOTETRALINS AND THEIR USE WIKSTROEM HAKAN VILHELM (NL) 2004-03-17 EP disclosed
US-6291494-B1 2-aminothiazol-fused 2-aminoindans and 2-aminotetralins and their use ASTRAZENECA AB (SE) 2001-09-18 US disclosed