SCHEMBL6560926

SCHEMBL6560926

CCCN(c1nc2cc3c(cc2s1)CC(N)CC3)C(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.41
DRD3 P35462 3/20 0.41
DRD4 P21917 1/20 0.41
KCNH2 Q12809 2/20 0.33
PLAU P00749 1/20 0.32
CRHR1 P34998 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL6561211 0.93 DRD2 (0.44) DRD2DRD3DRD4KCNH2CRHR1
SCHEMBL6558758 0.81 DRD2 (0.49) DRD2DRD3DRD4KCNH2NFKB1
SCHEMBL6559415 0.75 DRD2 (0.43) DRD2DRD3DRD4NFKB1THPO
SCHEMBL6558776 0.72 DRD2 (0.54) DRD2DRD3DRD4KCNH2
SCHEMBL6560089 0.68 DRD2 (0.49) DRD2DRD3DRD4KCNH2NFKB1
SCHEMBL6559628 0.67 DRD2 (0.59) DRD2DRD3DRD4KCNH2NFKB1
Propylamine SCHEMBL6560092 0.62 MAPT (0.41) DRD2DRD3DRD4KCNH2PLAU
SCHEMBL6558780 0.60 HTR1A (0.49) DRD2DRD3DRD4HTR1A
SCHEMBL8794907 0.59 CRHR1 (0.46) CRHR1
SCHEMBL27814400 0.59 HTR2A (0.42) DRD3KCNH2HTR1AMAPT

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