SCHEMBL6561215

SCHEMBL6561215

CCCC(C)C(=O)NC1Cc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 4/20 0.60
MME P08473 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
HRH3 Q9Y5N1 2/20 0.48
MAPT P10636 1/20 0.47
TAOK1 Q7L7X3 3/20 0.45
TAOK3 Q9H2K8 2/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL11294282 0.90 MTNR1A (0.64) GRM7MMEMTNR1AMTNR1BTAOK1
SCHEMBL6561214 0.84 CA1 (0.56) GRM7MMECA1CA2CA12
SCHEMBL14011280 0.80 GRM7 (0.71) GRM7MTNR1AMTNR1BHRH3MAPT
SCHEMBL6560917 0.80 GAA (0.54) CA1CA2CA12CA7CA9
SCHEMBL25343056 0.78 GRM7 (0.67) GRM7MTNR1AMTNR1BHRH3MAPT
SCHEMBL10421949 0.78 GRM7 (0.67) GRM7MTNR1AMTNR1BHRH3MAPT
SCHEMBL10421951 0.78 GRM7 (0.67) GRM7MTNR1AMTNR1BHRH3MAPT
SCHEMBL8887633 0.77 HTR1D (0.57) GRM7CA1CA2CA12CA7
SCHEMBL10447971 0.77 GRM7 (0.57) GRM7CA1CA2CA12CA7
SCHEMBL11298161 0.76 MTNR1A (0.54) MTNR1AMTNR1BMAPTTAOK1TAOK3

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