SCHEMBL6560943

SCHEMBL6560943

CCCN(C(=O)CC)c1nc2cc3c(cc2s1)CC(N)C3

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTR2C P28335 1/20 0.39
RAD52 P43351 2/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL6559415 0.93 DRD2 (0.43) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL6558776 0.82 DRD2 (0.54) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL6558758 0.74 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL6561211 0.72 DRD2 (0.44) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL6558739 0.69 DRD2 (0.54) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL6560926 0.66 DRD2 (0.41) DRD2DRD4DRD3
SCHEMBL7090398 0.66 GAA (0.61) NPC1RAB9ARAD52KMT2AMEN1
SCHEMBL7393183 0.66 DRD2 (0.61) DRD2DRD4DRD3RAB9A
SCHEMBL16975325 0.63 ALDH1A1 (0.52) NPC1RAB9ARAD52KMT2AMEN1
SCHEMBL6560089 0.63 DRD2 (0.49) DRD2DRD4DRD3

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