SCHEMBL6558739

SCHEMBL6558739

CCCNc1nc2cc3c(cc2s1)CC(N)C3

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.54
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
OPRM1 P35372 7/20 0.45
OPRD1 P41143 6/20 0.45
OPRK1 P41145 6/20 0.45
RIPK1 Q13546 2/20 0.40
KCNH2 Q12809 1/20 0.36
QPCT Q16769 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL6560089 0.91 DRD2 (0.49) DRD2DRD4DRD3OPRM1OPRD1
SCHEMBL4512261 0.81 RIPK1 (0.50) DRD2OPRM1OPRD1OPRK1RIPK1
SCHEMBL4495242 0.79 RIPK1 (0.49) DRD2OPRM1OPRD1OPRK1RIPK1
SCHEMBL27400144 0.74 NPY1R (0.48) OPRM1OPRD1OPRK1RIPK1QPCT
SCHEMBL6558776 0.73 DRD2 (0.54) DRD2DRD4DRD3OPRM1OPRD1
SCHEMBL18384865 0.71 RIPK1 (0.55) RIPK1NPC1RAB9AMEN1GAA
SCHEMBL7393183 0.71 DRD2 (0.61) DRD2DRD4DRD3KCNH2RAB9A
SCHEMBL13730744 0.70 DRD2 (1.00) DRD2DRD4DRD3KCNH2NPC1
SCHEMBL6560943 0.69 DRD2 (0.47) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL25932464 0.69 RIPK1 (0.39) DRD2OPRM1OPRD1OPRK1RIPK1

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