SCHEMBL6561200

SCHEMBL6561200

CCCNC1Cc2ccc(N)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.52
DRD3 P35462 7/20 0.52
DRD4 P21917 3/20 0.52
HTR1D P28221 2/20 0.52
HTR1B P28222 1/20 0.52
SIGMAR1 Q99720 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
GRIN2B Q13224 3/20 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
SCHEMBL6253652 0.89 GRIN2B (0.44) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL4106723 0.88 HTR1D (0.70) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL4100215 0.88 HTR1D (0.70) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL9776820 0.88 DRD2 (0.70) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL8692261 0.80 DRD2 (0.78) DRD2DRD3DRD4HTR1DHTR1B
Bromide SCHEMBL8693876 0.79 DRD2 (0.76) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL1792787 0.78 GRIN2B (0.61) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL8689197 0.78 DRD2 (0.79) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL8689152 0.78 DRD2 (0.50) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL14515547 0.77 PSEN1 (0.40) DRD2DRD3DRD4SIGMAR1CA12

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