SCHEMBL7306774

SCHEMBL7306774

[c]1ccc(CCCOC2CCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
OPRK1 P41145 2/20 0.38
OPRD1 P41143 1/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
NMT1 P30419 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
AGTR2 P50052 1/20 0.33
SLC6A2 P23975 2/20 0.32
HRH1 P35367 2/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
IDO1 P14902 1/20 0.32
HTR2C P28335 2/20 0.31

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
SCHEMBL7304224 0.97 OPRM1 (0.42) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL7307584 0.95 OPRM1 (0.41) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL7302728 0.93 OPRM1 (0.38) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL7327424 0.92 MEN1 (0.38) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL7295826 0.89 NPC1 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL7296929 0.89 HRH3 (0.40) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL7337609 0.87 HRH3 (0.39) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL4620956 0.86 NPC1 (0.36) OPRM1OPRK1OPRD1HRH3SCN5A
SCHEMBL7306482 0.85 MEN1 (0.40) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL7302580 0.84 NPC1 (0.39) OPRM1OPRK1OPRD1HRH3SCN5A

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