SCHEMBL17079983

SCHEMBL17079983

COc1cc(OC)cc(C2CCN(c3ccc(Br)cc3)C2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.61
HTR2C P28335 7/20 0.48
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTR2B P41595 3/20 0.40
HSD11B1 P28845 2/20 0.40
HTR2A P28223 2/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL17080069 0.82 ROCK2 (0.46) ROCK2HTR2CLMNAHTR2B
SCHEMBL10691676 0.80 HTR2C (0.60) ROCK2HTR2CALDH1A1MAPTHTR2B
SCHEMBL17080007 0.80 ROCK2 (0.49) ROCK2HTR2CMAPT
SCHEMBL17079989 0.77 ROCK2 (0.59) ROCK2
SCHEMBL18048773 0.76 ROCK2 (1.00) ROCK2POLB
SCHEMBL17079976 0.75 ROCK2 (0.45) ROCK2HTR2C
SCHEMBL7351360 0.75 HTR2C (0.56) ROCK2HTR2CALDH1A1MAPTHSD11B1
SCHEMBL17079996 0.74 ROCK2 (0.45) ROCK2ALDH1A1RECQLMAPTHSD11B1
SCHEMBL18083927 0.74 ROCK2 (0.64) ROCK2HTR2CMAPT
SCHEMBL20924955 0.73 ROCK2 (0.64) ROCK2ALDH1A1RECQLLMNAMAPT

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-3116877-A1 CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-01-18 EP disclosed
WO-2015136463-A1 CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-09-17 WO disclosed
WO-2015136463-A1 CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-09-17 WO disclosed