SCHEMBL6560089

SCHEMBL6560089

CCCNc1nc2cc3c(cc2s1)CC(N)CC3

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.49
OPRM1 P35372 6/20 0.44
OPRD1 P41143 5/20 0.44
OPRK1 P41145 5/20 0.44
DRD3 P35462 2/20 0.41
DRD4 P21917 1/20 0.41
MAPT P10636 2/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RIPK1 Q13546 2/20 0.37

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
SCHEMBL6558739 0.91 DRD2 (0.54) DRD2OPRM1OPRD1OPRK1DRD3
SCHEMBL6558758 0.76 DRD2 (0.49) DRD2OPRK1DRD3DRD4MAPT
SCHEMBL4512261 0.76 RIPK1 (0.50) DRD2OPRM1OPRD1OPRK1MAPT
SCHEMBL6559628 0.75 DRD2 (0.59) DRD2DRD3DRD4MAPTNFKB1
SCHEMBL4495242 0.74 RIPK1 (0.49) DRD2OPRM1OPRD1OPRK1MAPT
SCHEMBL21798812 0.73 DRD3 (0.49) DRD2DRD3DRD4MAPT
SCHEMBL21798813 0.73 DRD3 (0.49) DRD2DRD3DRD4MAPT
SCHEMBL6559415 0.73 DRD2 (0.43) DRD2DRD3DRD4MAPTNFKB1
Bromide SCHEMBL7317103 0.72 DRD3 (0.48) DRD2DRD3DRD4MAPT
SCHEMBL27400144 0.69 NPY1R (0.48) OPRM1OPRD1OPRK1MAPTHSD17B10

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