SCHEMBL6560855

SCHEMBL6560855

Cc1cccc(C2CCCN2N(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.49
ADAM17 P78536 1/20 0.39
SCD5 Q86SK9 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39
MAOB P27338 3/20 0.39
ALDH1A1 P00352 1/20 0.39
ROCK2 O75116 1/20 0.39
DRD4 P21917 3/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
MAOA P21397 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
AOC1 P19801 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL6559996 0.96 RIPK1 (0.46) RIPK1ADAM17SCD5MAOBDRD4
SCHEMBL878861 0.72 NPSR1 (0.56) RIPK1SCD5ALDH1A1ROCK2
SCHEMBL24775063 0.72 DRD2 (0.46) RIPK1MAOBALDH1A1DRD4DRD2
SCHEMBL19501003 0.72 RIPK1 (0.62) RIPK1ADAM17SCD5ROCK2DRD4
SCHEMBL27341297 0.71 PRMT5 (0.49) RIPK1ADAM17SCD5ROCK2
SCHEMBL12677862 0.70 OPRK1 (0.49) RIPK1ADAM17SCD5MAOBALDH1A1
SCHEMBL13162103 0.70 CHRNB2 (0.66) ALDH1A1
SCHEMBL19367188 0.69 RIPK1 (0.50) RIPK1
SCHEMBL6560857 0.69 RIPK1 (0.42) RIPK1ADAM17SCD5MAOBALDH1A1
SCHEMBL22055802 0.69 ALDH1A1 (0.48) MAOBALDH1A1ROCK2DRD4DRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0926164-B1 Substituted amino silane compounds and catalyst for the polymerization of alpha-olefins containing them BASELL NORTH AMERICA INC (US) 2004-02-25 EP disclosed
US-6130180-A Catalyst for the polymerization of alpha-olefins containing substituted amino silane compounds MONTELL NORTH AMERICA INC. (US) 2000-10-10 US disclosed
EP-0926164-A2 Substituted amino silane compounds and catalyst for the polymerization of alpha-olefins containing them MONTELL NORTH AMERICA INC. (US) 1999-06-30 EP disclosed