SCHEMBL8640943

SCHEMBL8640943

Fc1ccccc1CC1CCN(CCOc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.59
SIGMAR1 Q99720 2/20 0.59
LTA4H P09960 6/20 0.49
ATM Q13315 1/20 0.49
HTR1A P08908 4/20 0.48
HTR7 P34969 3/20 0.48
DRD2 P14416 2/20 0.48
HTR6 P50406 1/20 0.48
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
SLC6A4 P31645 1/20 0.45

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
SCHEMBL7375479 0.91 TMEM97 (0.55) TMEM97SIGMAR1LTA4HATMHTR1A
SCHEMBL7378007 0.91 LTA4H (0.48) TMEM97SIGMAR1LTA4HDRD2HTR2A
Hydrochloric Acid SCHEMBL7417600 0.90 TMEM97 (0.54) TMEM97SIGMAR1LTA4HATMHTR1A
Hydrochloric Acid SCHEMBL7522283 0.90 LTA4H (0.47) TMEM97SIGMAR1LTA4HDRD2HTR2A
SCHEMBL7379283 0.85 MAOB (0.46) TMEM97SIGMAR1LTA4HHTR1ADRD2
Hydrochloric Acid SCHEMBL7403695 0.84 TMEM97 (0.57) TMEM97SIGMAR1LTA4HATMHTR1A
SCHEMBL7400333 0.83 TMEM97 (0.56) TMEM97SIGMAR1LTA4HATMHTR1A
SCHEMBL8637801 0.83 TMEM97 (0.56) TMEM97SIGMAR1LTA4HHTR1ASLC6A4
Hydrochloric Acid SCHEMBL7375791 0.82 LTA4H (0.46) TMEM97SIGMAR1LTA4HATMHTR1A
SCHEMBL8644124 0.82 TMEM97 (0.70) TMEM97SIGMAR1LTA4HHTR1AHTR7

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed