SCHEMBL17079976

SCHEMBL17079976

O=C1C(c2ccc(F)c(F)c2)CCN1c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.45
HTR2C P28335 6/20 0.43
FPR2 P25090 1/20 0.43
TSHR P16473 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL17080056 0.87 HTR2C (0.46) ROCK2HTR2CTSHR
SCHEMBL17080007 0.83 ROCK2 (0.49) ROCK2HTR2CFPR2TSHR
SCHEMBL18083927 0.83 ROCK2 (0.64) ROCK2HTR2CFPR2TSHRSIRT2
SCHEMBL17080091 0.80 FPR2 (0.50) ROCK2HTR2CFPR2TSHRHDAC6
SCHEMBL17079989 0.79 ROCK2 (0.59) ROCK2FPR2HDAC6
SCHEMBL17080069 0.78 ROCK2 (0.46) ROCK2HTR2CFPR2TSHR
SCHEMBL17080024 0.77 ROCK2 (0.47) ROCK2HTR2CHDAC6
SCHEMBL17079979 0.75 ROCK2 (0.51) ROCK2FPR2TSHR
SCHEMBL17079983 0.75 ROCK2 (0.61) ROCK2HTR2C
SCHEMBL17080060 0.74 TSHR (0.39) TSHRSIRT2

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