SCHEMBL6560857

SCHEMBL6560857

Cc1cccc(C2CCCN2OC(=O)NC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.42
ALDH1A1 P00352 4/20 0.40
ROCK2 O75116 1/20 0.39
GAA P10253 2/20 0.39
ADAM17 P78536 1/20 0.38
OPRK1 P41145 1/20 0.38
CCKBR P32239 1/20 0.38
SCD5 Q86SK9 1/20 0.38
MAPK1 P28482 1/20 0.38
JAK2 O60674 1/20 0.38
NTRK1 P04629 1/20 0.38
MAOB P27338 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOA P21397 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 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
SCHEMBL6560000 0.97 PRMT5 (0.40) RIPK1ALDH1A1ROCK2OPRK1CCKBR
SCHEMBL22055802 0.76 ALDH1A1 (0.48) ALDH1A1ROCK2GAAMAPK1MAOB
SCHEMBL878861 0.73 NPSR1 (0.56) RIPK1ALDH1A1ROCK2GAASCD5
SCHEMBL24775063 0.70 DRD2 (0.46) RIPK1ALDH1A1GAAMAOBMAOA
SCHEMBL19501003 0.70 RIPK1 (0.62) RIPK1ROCK2ADAM17OPRK1SCD5
SCHEMBL19367188 0.70 RIPK1 (0.50) RIPK1
SCHEMBL24453925 0.70 SMN1; SMN2 (0.37) ALDH1A1LMNA
SCHEMBL12677863 0.69 ADAM17 (0.55) RIPK1ALDH1A1ROCK2ADAM17SCD5
SCHEMBL6560855 0.69 RIPK1 (0.49) RIPK1ALDH1A1ROCK2ADAM17OPRK1
SCHEMBL28167683 0.69 RIPK1 (0.58) RIPK1OPRK1JAK2NTRK1MAOB

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