SCHEMBL17833015

SCHEMBL17833015

CCCCCCCCCCCCCCCCCN1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.75
GNAI3 P08754 6/20 0.59
GNAO1 P09471 6/20 0.59
GNAI1 P63096 6/20 0.59
LTA4H P09960 1/20 0.52
KDM4E B2RXH2 1/20 0.47
BCHE P06276 1/20 0.47

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
SCHEMBL8266617 1.00 HRH3 (0.75) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL1277095 1.00 HRH3 (0.75) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL11207298 1.00 HRH3 (0.75) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL11486359 1.00 HRH3 (0.75) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL11486347 1.00 HRH3 (0.75) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL23682856 1.00 HRH3 (0.75) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL11210615 1.00 HRH3 (0.75) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL27096 1.00 HRH3 (0.75) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL22151380 1.00 HRH3 (0.75) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL19275133 1.00 HRH3 (0.75) HRH3GNAI3GNAO1GNAI1LTA4H

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
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed