Sugi Predict

Sugi Predict / Compounds / SCHEMBL5484741

SCHEMBL5484741

SCHEMBL5484741

Cc1cc(NCCCN2CCCCC2)c2ccccc2n1.c1ccc2c(NCCCCCCN3CCCCC3)ccnc2c1.c1ccc2sc(NCCCCCCN3CCCCC3)nc2c1.c1ccc2sc(NCCN3CCCCC3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.62
▸ ACP1 P24666 6/20 0.51
▸ SMARCA2 P51531 1/20 0.49

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
SCHEMBL7396965 0.83 HRH3 (0.75) HRH3
SCHEMBL5281506 0.83 ACP1 (0.66) HRH3ACP1
SCHEMBL5281041 0.82 HRH3 (0.76) HRH3
SCHEMBL6052727 0.82 HRH3 (0.76) HRH3
SCHEMBL5281218 0.82 HRH3 (0.76) HRH3
SCHEMBL491669 0.82 HRH3 (0.66) HRH3ACP1SMARCA2
SCHEMBL491641 0.80 ACP1 (0.70) HRH3ACP1SMARCA2
SCHEMBL491920 0.79 SMN1; SMN2 (0.60) HRH3ACP1
SCHEMBL491645 0.79 HRH3 (1.00) HRH3
SCHEMBL491904 0.75 ILK (0.58) HRH3ACP1SMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863487-A2 TREATMENT OF PARKINSON'S DISEASE, OBSTRUCTIVE SLEEP APNEA, DEMENTIA WITH LEWY BODIES, VASCULAR DEMENTIA WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 — — EP claimed
WO-2006103546-A2 TREATMENT OF PARKINSON'S DISEASE, OBSTRUCTIVE SLEEP APNEA, DEMENTIA WITH LEWY BODIES, VASCULAR DEMENTIA WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 — — WO claimed