SCHEMBL19980301

SCHEMBL19980301

CN(C)c1cc(Br)ccc1CC[C@H](N)C=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.33
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
PYCR1 P32322 1/20 0.30

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
SCHEMBL21156890 0.83 KMT2A (0.38) POLB
SCHEMBL22048136 0.81 MEN1 (0.37) POLBMAPK1
SCHEMBL19980300 0.79 SLC6A2 (0.40) MAPK1
SCHEMBL20344529 0.74 KMT2A (0.41) POLBMAPK1
SCHEMBL19980155 0.74 STAT3 (0.32) POLB
SCHEMBL19980141 0.74 STAT3 (0.32) POLB
SCHEMBL1241206 0.72 TAAR1 (0.50) CCR5PYCR1
SCHEMBL23189014 0.69
SCHEMBL21156308 0.68 SLC6A2 (0.39) PYCR1
SCHEMBL27337210 0.68 CCR5 (0.44) CCR5POLBMAPK1PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed