SCHEMBL7327424

SCHEMBL7327424

[c]1ccc(CCCOCCOC2CCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 7/20 0.37
SLC6A2 P23975 2/20 0.35
HRH1 P35367 2/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
HTR2C P28335 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
CHRM4 P08173 1/20 0.35
HTR7 P34969 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
OPRM1 P35372 3/20 0.34
OPRK1 P41145 2/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL7296929 0.97 HRH3 (0.40) MEN1KMT2AHRH3SLC6A2HRH1
SCHEMBL7337609 0.95 HRH3 (0.39) MEN1KMT2AHRH3SLC6A2HRH1
SCHEMBL7306482 0.94 MEN1 (0.40) MEN1KMT2AHRH3SLC6A2HRH1
SCHEMBL7304360 0.92 FFAR4 (0.33) HRH3FFAR4
SCHEMBL7306774 0.92 OPRM1 (0.39) MEN1KMT2AHRH3SLC6A2HRH1
SCHEMBL7295050 0.89 FFAR4 (0.33) HRH3FFAR4
SCHEMBL7304224 0.89 OPRM1 (0.42) MEN1KMT2AHRH3SLC6A2HRH1
SCHEMBL7323836 0.88 NPC1 (0.35) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL7307584 0.87 OPRM1 (0.41) MEN1KMT2AHRH3SLC6A2HRH1
SCHEMBL7298862 0.85 MEN1 (0.31) MEN1KMT2AFFAR4

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
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed