SCHEMBL19980070

SCHEMBL19980070

COc1ccc(CCC(C)C)c(NC=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.40
APLNR P35414 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ADRB2 P07550 3/20 0.38
ADRB1 P08588 2/20 0.38
DRD2 P14416 2/20 0.38
PGR P06401 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRB3 P13945 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
SCHEMBL21155923 0.89 HTR2A (0.41) OR51E2MEN1KMT2AHTTAPLNR
SCHEMBL23188990 0.75 TSHR (0.38) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL24434722 0.73 TAAR1 (0.42) MEN1KMT2AHTTALDH1A1ADRA1A
SCHEMBL22710291 0.72 APLNR (0.38) MEN1KMT2AAPLNRADRA1AMAPK1
SCHEMBL19980286 0.72 APLNR (0.38) MEN1KMT2AAPLNRADRA1AMAPK1
SCHEMBL9947244 0.72 OR51E2 (0.50) OR51E2KMT2AHTTAPLNRSMN1; SMN2
SCHEMBL1911389 0.72 OR51E2 (0.46) OR51E2MEN1KMT2AHTTALDH1A1
SCHEMBL1758614 0.72 ALDH1A1 (0.56) OR51E2MEN1KMT2AHTTSMN1; SMN2
SCHEMBL24575897 0.71 KMT2A (0.46) OR51E2MEN1KMT2AHTTSMN1; SMN2
SCHEMBL13104388 0.70 ADRA1A (0.64) SMN1; SMN2ALDH1A1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508484-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-04-07 EP disclosed
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
EP-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed