SCHEMBL19488299

SCHEMBL19488299

CCCNCc1nc2cc(C#Cc3cccc(-c4nc[nH]c4[C@@H]4CCCN4)c3)ccc2[nH]1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.31
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL13221489 0.83 SCN10A (0.39)
SCHEMBL16938792 0.81 SCN10A (0.43) HRH4HRH3
SCHEMBL19488288 0.79
SCHEMBL19488611 0.75 TGFBR1 (0.33) HRH4HRH3
SCHEMBL10201159 0.75 SCN10A (0.41)
SCHEMBL19488792 0.71 SCN10A (0.39)
SCHEMBL12406139 0.71 SCN10A (0.43)
SCHEMBL19488290 0.69 SCN10A (0.37)
SCHEMBL19488580 0.69 SCN10A (0.37)
SCHEMBL19488583 0.68 SCN10A (0.39) MCHR1HRH4HRH3

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-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed