SCHEMBL6561214

SCHEMBL6561214

CCCC(C)C(=O)NC1Cc2ccc(N)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.56
CA2 P00918 10/20 0.56
CA7 P43166 8/20 0.56
CA14 Q9ULX7 8/20 0.56
CA12 O43570 7/20 0.56
CA9 Q16790 6/20 0.56
GRM7 Q14831 3/20 0.43
HSD17B10 Q99714 3/20 0.39
TSHR P16473 1/20 0.39
MME P08473 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
SCHEMBL6561215 0.84 GRM7 (0.60) CA1CA2CA7CA14CA12
SCHEMBL6560917 0.81 GAA (0.54) CA1CA2CA7CA14CA12
SCHEMBL6559473 0.79 CA1 (0.68) CA1CA2CA7CA14CA12
SCHEMBL8008813 0.76 CA1 (0.64) CA1CA2CA7CA14CA12
SCHEMBL6583483 0.76 CA1 (0.64) CA1CA2CA7CA14CA12
SCHEMBL8887633 0.76 HTR1D (0.57) CA1CA2CA7CA14CA12
SCHEMBL11294282 0.75 MTNR1A (0.64) GRM7MME
Hydrochloric Acid SCHEMBL11453887 0.75 CA1 (0.62) CA1CA2CA7CA14CA12
SCHEMBL4641731 0.74 CA1 (0.47) CA1CA2CA7CA14CA12
SCHEMBL8885912 0.74 CA1 (0.40) CA1CA2CA7CA14CA12

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
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
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