SCHEMBL20121775

SCHEMBL20121775

CC(C)c1cn(CS)nn1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL7650649 0.81 IDO1 (0.37) HRH4HRH3
SCHEMBL13031208 0.79 MEN1 (0.31) HRH4HRH3
SCHEMBL7602678 0.79 ACHE (0.34) HRH4HRH3
SCHEMBL12364368 0.79 NTRK1 (0.32) HRH4HRH3
SCHEMBL23957806 0.79 EGLN2 (0.33) HRH4HRH3
SCHEMBL13453642 0.78 SMPD1 (0.41) HRH4HRH3
SCHEMBL19400545 0.78 HRH4 (0.35) HRH4HRH3
SCHEMBL12364362 0.76 HRH4 (0.35) HRH4HRH3
SCHEMBL21152039 0.76 NTRK1 (0.33)
SCHEMBL20711355 0.76 GPR88 (0.33)

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
US-9963478-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-08 US disclosed