SCHEMBL6566709

SCHEMBL6566709

CC(C)(C)CCC(CCOCCC(CCC(C)(C)C)N1CCCCC1)N1CCCCC1.c1ccc(CCCC(CCOCCC(CCCc2ccccc2)N2CCCCC2)N2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
MC4R P32245 2/20 0.43
FKBP1A P62942 4/20 0.39
SIGMAR1 Q99720 4/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CYP3A4 P08684 4/20 0.36
LMNA P02545 3/20 0.36
CYP2C19 P33261 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5713485 0.90 HRH3 (0.55) HRH3MC4RSIGMAR1SLC6A2SLC6A4
SCHEMBL5713520 0.89 HRH3 (0.52) HRH3MC4RSIGMAR1SLC6A2SLC6A4
SCHEMBL5713440 0.78 SIGMAR1 (0.50) HRH3MC4RSIGMAR1ALDH1A1MEN1
SCHEMBL491563 0.77 HRH3 (0.57) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL5713495 0.77 HPGD (0.45) HRH3MC4RSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL6570349 0.74 MC4R (0.49) HRH3MC4RSIGMAR1SLC6A2SLC6A4
SCHEMBL5713432 0.74 SIGMAR1 (0.42) HRH3MC4RSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL5713501 0.74 SIGMAR1 (0.42) HRH3MC4RSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13649874 0.72
SCHEMBL6570194 0.72 MC4R (0.50) HRH3MC4RSIGMAR1SLC6A2SLC6A4

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-1100503-B1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ILE BIOPROJET SOC CIV (FR) 2004-09-22 EP claimed