SCHEMBL6558753

SCHEMBL6558753

CCC(=O)NC1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.61
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
CA7 P43166 4/20 0.61
CA9 Q16790 4/20 0.61
CA14 Q9ULX7 4/20 0.61
PNMT P11086 6/20 0.51
ADRA2A P08913 4/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50

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
SCHEMBL4107613 0.90 MTNR1A (0.62) CA12CA1CA2CA7CA9
SCHEMBL4107609 0.90 MTNR1A (0.62) CA12CA1CA2CA7CA9
SCHEMBL27744228 0.86 ADRA2A (0.50) CA12CA1CA2CA7CA9
SCHEMBL8008337 0.85 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL3803914 0.85 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL8370641 0.83 PNMT (0.49) PNMTADRA2AADRA2BADRA2C
SCHEMBL4108185 0.83 MTNR1A (0.47) CA12CA1CA2CA7CA9
SCHEMBL1415332 0.82 PNMT (0.49) PNMTADRA2AADRA2BADRA2C
SCHEMBL6560917 0.80 GAA (0.54) CA12CA1CA2CA7CA9
SCHEMBL6202191 0.79 DRD2 (0.58) CA12CA1CA2CA7CA14

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 6 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
CN-1126747-C 2-aminothiazole-fused 2-aminoindanes and 2-aminotetralines and their use HECKEN VILHELM WIKSTROHM (NL) 2003-11-05 CN disclosed
US-6291494-B1 2-aminothiazol-fused 2-aminoindans and 2-aminotetralins and their use ASTRAZENECA AB (SE) 2001-09-18 US disclosed
CN-1307569-A 2-aminothiazole-fused 2-aminoindanes and 2-aminotetralines and their use HECKEN VILKELM WIKSTROHM (NL) 2001-08-08 CN disclosed
EP-1091946-A1 NEW 2-AMINOTHIAZOL-FUSED 2-AMINOINDANS AND 2-AMINOTETRALINS AND THEIR USE WIKSTRÖM, Hakan Vilhelm (NL) 2001-04-18 EP disclosed
WO-2000001680-A1 NEW 2-AMINOTHIAZOL-FUSED 2-AMINOINDANS AND 2-AMINOTETRALINS AND THEIR USE WIKSTROEM HAKAN VILHELM (NL) 2000-01-13 WO disclosed