SCHEMBL23936835

SCHEMBL23936835

CNC1CCN(CCN)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
ALOX15 P16050 1/20 0.41
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
CARM1 Q86X55 3/20 0.35
PRMT6 Q96LA8 3/20 0.35
PRMT1 Q99873 2/20 0.35
PRMT8 Q9NR22 2/20 0.35
PRMT3 O60678 1/20 0.35
HRH4 Q9H3N8 11/20 0.34

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
SCHEMBL10064195 1.00 HRH3 (0.42) HRH3HRH2HRH1ALOX15GNAI3
SCHEMBL14173452 0.88 ALOX15 (0.50) HRH3ALOX15GNAI3GNAO1GNAI1
SCHEMBL23936820 0.83
SCHEMBL13874921 0.82 HRH2 (0.43) HRH3HRH2HRH1
SCHEMBL12995614 0.82 HRH2 (0.43) HRH3HRH2HRH1
SCHEMBL16380998 0.82 HRH2 (0.43) HRH3HRH2HRH1
SCHEMBL27420609 0.81 HRH3 (0.46) HRH3HRH2HRH1GNAI3GNAO1
SCHEMBL20618434 0.81 HRH3 (0.46) HRH3HRH2HRH1GNAI3GNAO1
SCHEMBL765377 0.80 HRH2 (0.42) HRH3HRH2HRH1CARM1PRMT6
SCHEMBL21226644 0.78 HRH2 (0.47) HRH3HRH2HRH1GNAI3GNAO1

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-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 EP disclosed