Sugi Predict

Sugi Predict / Compounds / SCHEMBL7396965

SCHEMBL7396965

SCHEMBL7396965

Cc1cc(NCCCCCCN2CCCCC2)c2ccccc2n1.Cc1cc(NCCCN2CCCCC2)c2ccccc2n1.Clc1ccc2c(NCCCCN3CCCCC3)ccnc2c1.Clc1ccc2c(NCCCN3CCCCC3)ccnc2c1.c1ccc2c(NCCCCCCN3CCCCC3)ccnc2c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.75
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61

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
SCHEMBL5281218 0.99 HRH3 (0.76) HRH3MEN1KMT2A
SCHEMBL5281041 0.99 HRH3 (0.76) HRH3MEN1KMT2A
SCHEMBL6052727 0.99 HRH3 (0.76) HRH3MEN1KMT2A
SCHEMBL491898 0.86 HRH3 (1.00) HRH3MEN1KMT2A
SCHEMBL491855 0.86 HRH3 (1.00) HRH3MEN1KMT2A
SCHEMBL492046 0.86 HRH3 (1.00) HRH3MEN1KMT2A
SCHEMBL5289503 0.86 HRH3 (0.98) HRH3MEN1KMT2A
SCHEMBL7430746 0.86 HRH3 (1.00) HRH3MEN1KMT2A
SCHEMBL5281506 0.86 ACP1 (0.66) HRH3
SCHEMBL491669 0.85 HRH3 (0.66) HRH3

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-1100503-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2001-05-23 — — EP claimed
WO-2000006254-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2000-02-10 — — WO claimed