SCHEMBL3913698

SCHEMBL3913698

CCN1C(=O)[C@@H](NC(=O)O)COc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.64
MME P08473 3/20 0.55
ACE P12821 3/20 0.55
XIAP P98170 7/20 0.54
NPY1R P25929 1/20 0.51
NR1I2 O75469 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL3915686 0.90 MME (0.57) RIPK1MMEACEXIAPNPY1R
SCHEMBL1562251 0.85 RIPK1 (0.56) RIPK1MMEACEXIAPNPY1R
SCHEMBL1562249 0.85 RIPK1 (0.56) RIPK1MMEACEXIAPNPY1R
SCHEMBL3914724 0.84 MME (0.53) RIPK1MMEACEXIAPNPY1R
SCHEMBL14169841 0.84 RIPK1 (0.57) RIPK1MMEACEXIAPNPY1R
SCHEMBL3910585 0.83 RIPK1 (0.68) RIPK1NR1I2CYP2C9
SCHEMBL3910591 0.83 RIPK1 (0.68) RIPK1NR1I2CYP2C9
SCHEMBL3912421 0.81 XIAP (0.55) RIPK1MMEACEXIAPNPY1R
SCHEMBL3911195 0.80 SCN9A (0.51) RIPK1MMEACEXIAPNPY1R
SCHEMBL19207951 0.79 RIPK1 (1.00) RIPK1

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-3414239-A2 INHIBITORS OF RECEPTOR-INTERACTING PROTEIN KINASE 1 Denali Therapeutics Inc. (US) 2018-12-19 EP disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed
EP-2029555-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2009-03-04 EP disclosed
WO-2007135295-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2007-11-29 WO disclosed